1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid

C20H22ClNO2 — CID 4254480

IUPAC1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1cccc(C(c2cccc(Cl)c2)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H22ClNO2/c1-14-4-2-5-16(12-14)19(17-6-3-7-18(21)13-17)22-10-8-15(9-11-22)20(23)24/h2-7,12-13,15,19H,8-11H2,1H3,(H,23,24)
InChIKeyNBRVQZWNFYTDAQ-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.53
Rot. Bonds4

About 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid

1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 4254480) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID4254480
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1cccc(C(c2cccc(Cl)c2)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H22ClNO2/c1-14-4-2-5-16(12-14)19(17-6-3-7-18(21)13-17)22-10-8-15(9-11-22)20(23)24/h2-7,12-13,15,19H,8-11H2,1H3,(H,23,24)
InChIKeyNBRVQZWNFYTDAQ-UHFFFAOYSA-N
XLogP4.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]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-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3954071
1-[(3-methylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3986732
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[(3-ethoxy-4-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4259060
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410
1-[(5-chloro-2-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3955631
1-[(3,4-dichlorophenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5030410
1-[(3-chlorophenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 5023473
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid (CID 4254480) is 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid is Cc1cccc(C(c2cccc(Cl)c2)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is NBRVQZWNFYTDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-14-4-2-5-16(12-14)19(17-6-3-7-18(21)13-17)22-10-8-15(9-11-22)20(23)24/h2-7,12-13,15,19H,8-11H2,1H3,(H,23,24).
What are the key properties of 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 343.85 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4254480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).