2-(2-chlorophenyl)piperidine-4-carboxylic acid

C12H14ClNO2 — CID 82388189

IUPAC2-(2-chlorophenyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11-7-8(12(15)16)5-6-14-11/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyMAXXKUPTPIYNLT-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.47
Rot. Bonds2

About 2-(2-chlorophenyl)piperidine-4-carboxylic acid

2-(2-chlorophenyl)piperidine-4-carboxylic acid (PubChem CID 82388189) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)piperidine-4-carboxylic acid
PubChem CID82388189
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(2-chlorophenyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11-7-8(12(15)16)5-6-14-11/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyMAXXKUPTPIYNLT-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)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

6-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 117168140
[2-(2-chlorophenyl)piperidin-4-yl]methanol
CID 105483517
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425
3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
4-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 82388184
2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine
CID 142645631
2-[2-methyl-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555403
2-imidazo[1,2-a]pyridin-5-ylpiperidine-4-carboxylic acid
CID 82385077
5-(2-chlorophenyl)pyrrolidin-3-ol;hydrochloride
CID 115039948
5-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117441288
methyl 2-(2-fluorophenyl)piperidine-4-carboxylate
CID 105498960

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)piperidine-4-carboxylic acid (CID 82388189) is 2-(2-chlorophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)piperidine-4-carboxylic acid is O=C(O)C1CCNC(c2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)piperidine-4-carboxylic acid?
The InChIKey is MAXXKUPTPIYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11-7-8(12(15)16)5-6-14-11/h1-4,8,11,14H,5-7H2,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)piperidine-4-carboxylic acid?
2-(2-chlorophenyl)piperidine-4-carboxylic acid has a molecular weight of 239.70 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82388189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).