tert-butyl 4,4-difluoropiperidine-1-carboxylate
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Product
tert-butyl 4,4-difluoropiperidine-1-carboxylate
CAS
281652-10-6
Formula
C10H17F2NO2
Product Description
tert-butyl 4,4-difluoropiperidine-1-carboxylate is a chemical compound with the molecular formula C10H17F2NO2. It is characterized by its difluorinated piperidine structure and is often used in pharmaceutical applications as an intermediate in the synthesis of various active pharmaceutical ingredients.
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Typical Product Specifications
Canonicalized Compound
1
Compound Complexity
238
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Chemical Structure
Allowed IUPAC Name
tert-butyl 4,4-difluoropiperidine-1-carboxylate
CAS-like Style IUPAC Name
4,4-difluoro-1-piperidinecarboxylic acid tert-butyl ester
Markup IUPAC Name
<I>tert</I>-butyl 4,4-difluoropiperidine-1-carboxylate
Preferred IUPAC Name
tert-butyl 4,4-difluoropiperidine-1-carboxylate
Systematic IUPAC Name
tert-butyl 4,4-bis(fluoranyl)piperidine-1-carboxylate
Traditional IUPAC Name
4,4-difluoropiperidine-1-carboxylic acid tert-butyl ester
Standard InChI
InChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-6-4-10(11,12)5-7-13/h4-7H2,1-3H3
Standard InChIKey
HHBBBPZPEBZLII-UHFFFAOYSA-N
XLogP3-AA Log P
2.3
Exact Mass
221.12273511
Molecular Weight
221.24
Canonical SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(F)F
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(F)F
Polar Surface Area Topological
29.5
MonoIsotopic Weight
221.12273511
Class
Uses of tert-butyl 4,4-difluoropiperidine-1-carboxylate
This compound is primarily utilized in the pharmaceutical industry for the synthesis of drugs, particularly those targeting neurological conditions. Its unique structure allows it to serve as a building block for more complex molecules, enhancing the efficacy and specificity of therapeutic agents.
Industries that use tert-butyl 4,4-difluoropiperidine-1-carboxylate
- Pharmaceutical - In the pharmaceutical industry, tert-butyl 4,4-difluoropiperidine-1-carboxylate is used as an intermediate in the production of various medications, particularly those that require fluorinated compounds for improved biological activity.
- Chemical Manufacturing - Chemical manufacturers utilize this compound in the development of new chemical entities and intermediates, leveraging its unique properties to create innovative products.
- Research and Development - In R&D settings, this compound is studied for its potential applications in drug discovery and development, particularly in the field of medicinal chemistry.
Related Products
- Complementary Products
- Alternative Products
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tert-butyl 4,4-difluoropiperidine-1-carboxylate
Product
tert-butyl 4,4-difluoropiperidine-1-carboxylate
CAS
281652-10-6
Formula
C10H17F2NO2
Product Description
tert-butyl 4,4-difluoropiperidine-1-carboxylate is a chemical compound with the molecular formula C10H17F2NO2. It is characterized by its difluorinated piperidine structure and is often used in pharmaceutical applications as an intermediate in the synthesis of various active pharmaceutical ingredients.
Need a quote for tert-butyl 4,4-difluoropiperidine-1-carboxylate?
Please fill out the RFQ form, and one of our representatives will contact you as soon as possible.
Typical Product Specifications
Canonicalized Compound
1
Compound Complexity
238
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Chemical Structure
Allowed IUPAC Name
tert-butyl 4,4-difluoropiperidine-1-carboxylate
CAS-like Style IUPAC Name
4,4-difluoro-1-piperidinecarboxylic acid tert-butyl ester
Markup IUPAC Name
<I>tert</I>-butyl 4,4-difluoropiperidine-1-carboxylate
Preferred IUPAC Name
tert-butyl 4,4-difluoropiperidine-1-carboxylate
Systematic IUPAC Name
tert-butyl 4,4-bis(fluoranyl)piperidine-1-carboxylate
Traditional IUPAC Name
4,4-difluoropiperidine-1-carboxylic acid tert-butyl ester
Standard InChI
InChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-6-4-10(11,12)5-7-13/h4-7H2,1-3H3
Standard InChIKey
HHBBBPZPEBZLII-UHFFFAOYSA-N
XLogP3-AA Log P
2.3
Exact Mass
221.12273511
Molecular Weight
221.24
Canonical SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(F)F
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(F)F
Polar Surface Area Topological
29.5
MonoIsotopic Weight
221.12273511
Class
Uses of tert-butyl 4,4-difluoropiperidine-1-carboxylate
This compound is primarily utilized in the pharmaceutical industry for the synthesis of drugs, particularly those targeting neurological conditions. Its unique structure allows it to serve as a building block for more complex molecules, enhancing the efficacy and specificity of therapeutic agents.
Industries that use tert-butyl 4,4-difluoropiperidine-1-carboxylate
- Pharmaceutical - In the pharmaceutical industry, tert-butyl 4,4-difluoropiperidine-1-carboxylate is used as an intermediate in the production of various medications, particularly those that require fluorinated compounds for improved biological activity.
- Chemical Manufacturing - Chemical manufacturers utilize this compound in the development of new chemical entities and intermediates, leveraging its unique properties to create innovative products.
- Research and Development - In R&D settings, this compound is studied for its potential applications in drug discovery and development, particularly in the field of medicinal chemistry.
Related Products
- Complementary Products
- Alternative Products
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