1-(2,2-difluoropropyl)piperidine-4-carboxylic acid

C9H15F2NO2 — CID 83855153

IUPAC1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
SMILESCC(F)(F)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15F2NO2/c1-9(10,11)6-12-4-2-7(3-5-12)8(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyMLMLPJUZPVXXML-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.44
Rot. Bonds3

About 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid

1-(2,2-difluoropropyl)piperidine-4-carboxylic acid (PubChem CID 83855153) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
PubChem CID83855153
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
SMILESCC(F)(F)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H15F2NO2/c1-9(10,11)6-12-4-2-7(3-5-12)8(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyMLMLPJUZPVXXML-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-Methylpiperidine-4-carboxylic acid
CID 2736939
4-Piperidinecarboxylic acid, 1-methyl-, hydrochloride (1:1)
CID 2760043
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1-Boc-3,3-difluoropiperidin-4-carboxylic acid
CID 72207303
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
4-Fluoro-1-methylpiperidine-4-carboxylic acid hydrochloride
CID 91667882
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid (CID 83855153) is 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid is CC(F)(F)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid?
The InChIKey is MLMLPJUZPVXXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-9(10,11)6-12-4-2-7(3-5-12)8(13)14/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid?
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid has a molecular weight of 207.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83855153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).