(3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid

C13H19F2NO3 — CID 68752657

IUPAC(3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H19F2NO3/c14-13(15)5-3-9(4-6-13)11(17)16-7-1-2-10(8-16)12(18)19/h9-10H,1-8H2,(H,18,19)/t10-/m1/s1
InChIKeyYWIZZMSJBLRETA-SNVBAGLBSA-N
MW275.29 g/mol
LogP2.14
Rot. Bonds2

About (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid

(3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid (PubChem CID 68752657) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid
PubChem CID68752657
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name(3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H19F2NO3/c14-13(15)5-3-9(4-6-13)11(17)16-7-1-2-10(8-16)12(18)19/h9-10H,1-8H2,(H,18,19)/t10-/m1/s1
InChIKeyYWIZZMSJBLRETA-SNVBAGLBSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 62302752
1-(2-Cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 71915692
3-[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]propanoic acid
CID 81928282
3-[1-(2,2-Difluoro-1-methylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 122108448
1-(2,2-Difluoro-4-methylpentanoyl)piperidine-3-carboxylic acid
CID 57700704
1-(2,2-Difluorobutanoyl)piperidine-3-carboxylic acid
CID 68248732
1-(4,4-Difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 68752659
(3S)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 68755297
1-(4,4-Difluorocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 81930234
(3S,5S)-5-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
CID 123296371
(3S,5R)-5-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
CID 123605883
2-(Trifluoromethyl)piperidine-1,3-dicarboxylic acid
CID 123666074

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid (CID 68752657) is (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid?
The InChIKey is YWIZZMSJBLRETA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19F2NO3/c14-13(15)5-3-9(4-6-13)11(17)16-7-1-2-10(8-16)12(18)19/h9-10H,1-8H2,(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid?
(3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,4-difluorocyclohexanecarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 68752657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).