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

C21H25NO3 — CID 3889238

IUPAC1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C21H25NO3/c1-15-6-3-4-9-19(15)20(17-7-5-8-18(14-17)25-2)22-12-10-16(11-13-22)21(23)24/h3-9,14,16,20H,10-13H2,1-2H3,(H,23,24)
InChIKeyIMNCARPQGAQLCU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.89
Rot. Bonds5

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

1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3889238) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3889238
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C21H25NO3/c1-15-6-3-4-9-19(15)20(17-7-5-8-18(14-17)25-2)22-12-10-16(11-13-22)21(23)24/h3-9,14,16,20H,10-13H2,1-2H3,(H,23,24)
InChIKeyIMNCARPQGAQLCU-UHFFFAOYSA-N
XLogP3.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxyphenyl)-(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-[(3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3970675
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880
1-[(3,4-dichlorophenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5030410
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790
1-[(4-ethoxy-3-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3522390
1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[(3,4-diethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4539522
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(2,4-dimethoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4015353
1-[(3-bromophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3927621
1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4283453
1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3968223

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid (CID 3889238) is 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid is COc1cccc(C(c2ccccc2C)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is IMNCARPQGAQLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15-6-3-4-9-19(15)20(17-7-5-8-18(14-17)25-2)22-12-10-16(11-13-22)21(23)24/h3-9,14,16,20H,10-13H2,1-2H3,(H,23,24).
What are the key properties of 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3889238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).