1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid

C22H27NO2 — CID 4043880

IUPAC1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1cc(C)cc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C22H27NO2/c1-15-12-16(2)14-19(13-15)21(20-7-5-4-6-17(20)3)23-10-8-18(9-11-23)22(24)25/h4-7,12-14,18,21H,8-11H2,1-3H3,(H,24,25)
InChIKeyXLKGVNFPXCYBIB-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.50
Rot. Bonds4

About 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid

1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 4043880) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID4043880
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1cc(C)cc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C22H27NO2/c1-15-12-16(2)14-19(13-15)21(20-7-5-4-6-17(20)3)23-10-8-18(9-11-23)22(24)25/h4-7,12-14,18,21H,8-11H2,1-3H3,(H,24,25)
InChIKeyXLKGVNFPXCYBIB-UHFFFAOYSA-N
XLogP4.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3,5-dimethylphenyl)-(2-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-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3889238
1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5031418
1-[(3,4-diethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4539522
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790
1-[(3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3566427
1-[(3,5-dimethylphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3878307
1-[(2,4-dimethylphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3566266
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 4681970
1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3264947

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid (CID 4043880) is 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid is Cc1cc(C)cc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XLKGVNFPXCYBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-12-16(2)14-19(13-15)21(20-7-5-4-6-17(20)3)23-10-8-18(9-11-23)22(24)25/h4-7,12-14,18,21H,8-11H2,1-3H3,(H,24,25).
What are the key properties of 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 337.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4043880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).