2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid

C15H20ClNO2 — CID 114075996

IUPAC2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
SMILESCc1cc(Cl)ccc1CN1CCCC(CC(=O)O)C1
InChIInChI=1S/C15H20ClNO2/c1-11-7-14(16)5-4-13(11)10-17-6-2-3-12(9-17)8-15(18)19/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,19)
InChIKeyGYZJXLAFPJQYEV-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.34
Rot. Bonds4

About 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid

2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid (PubChem CID 114075996) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
PubChem CID114075996
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
SMILESCc1cc(Cl)ccc1CN1CCCC(CC(=O)O)C1
InChIInChI=1S/C15H20ClNO2/c1-11-7-14(16)5-4-13(11)10-17-6-2-3-12(9-17)8-15(18)19/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,19)
InChIKeyGYZJXLAFPJQYEV-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic 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

(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 65072325
2-[(4S)-1-[(2,5-dichlorophenyl)methyl]azepan-4-yl]acetic acid
CID 129489700
4-[(3-ethylpiperidin-1-yl)methyl]-3-methylbenzoic acid
CID 114485403
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
(3S)-1-[(4-chloro-2-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 99638888
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
CID 91648633
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]acetic acid
CID 65059942
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
2-[1-[(4-methoxycarbonylphenyl)methyl]piperidin-3-yl]acetic acid
CID 65060247

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid (CID 114075996) is 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid is Cc1cc(Cl)ccc1CN1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is GYZJXLAFPJQYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-7-14(16)5-4-13(11)10-17-6-2-3-12(9-17)8-15(18)19/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid?
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 281.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 114075996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).