(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid

C14H18ClNO2 — CID 24904832

IUPAC(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1CN1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H18ClNO2/c1-10-7-13(15)5-4-11(10)8-16-6-2-3-12(9-16)14(17)18/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyCATGSIVWPJXZHP-GFCCVEGCSA-N
MW267.76 g/mol
LogP2.95
Rot. Bonds3

About (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid

(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 24904832) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID24904832
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1CN1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H18ClNO2/c1-10-7-13(15)5-4-11(10)8-16-6-2-3-12(9-16)14(17)18/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyCATGSIVWPJXZHP-GFCCVEGCSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 114075996
(3S)-1-[(4-chloro-2-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 99638888
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
CID 45075015
(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040656
1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 5182680

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid (CID 24904832) is (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid is Cc1cc(Cl)ccc1CN1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is CATGSIVWPJXZHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-7-13(15)5-4-11(10)8-16-6-2-3-12(9-16)14(17)18/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid?
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 267.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 24904832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).