4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid

C20H24N2O2 — CID 73074090

IUPAC4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(Cc2ccccc2)CCC1(Nc1ccccc1)C(=O)O
InChIInChI=1S/C20H24N2O2/c1-16-14-22(15-17-8-4-2-5-9-17)13-12-20(16,19(23)24)21-18-10-6-3-7-11-18/h2-11,16,21H,12-15H2,1H3,(H,23,24)
InChIKeyJNEUTURXWCPFHN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.46
Rot. Bonds5

About 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid

4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid (PubChem CID 73074090) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid
PubChem CID73074090
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(Cc2ccccc2)CCC1(Nc1ccccc1)C(=O)O
InChIInChI=1S/C20H24N2O2/c1-16-14-22(15-17-8-4-2-5-9-17)13-12-20(16,19(23)24)21-18-10-6-3-7-11-18/h2-11,16,21H,12-15H2,1H3,(H,23,24)
InChIKeyJNEUTURXWCPFHN-UHFFFAOYSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
methyl 4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate
CID 3017224
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
methyl 3-(1-benzyl-3,4-dimethylpiperidin-4-yl)benzoate
CID 22645405
(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol
CID 44604890
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid (CID 73074090) is 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid is CC1CN(Cc2ccccc2)CCC1(Nc1ccccc1)C(=O)O.
What is the InChIKey of 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid?
The InChIKey is JNEUTURXWCPFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-14-22(15-17-8-4-2-5-9-17)13-12-20(16,19(23)24)21-18-10-6-3-7-11-18/h2-11,16,21H,12-15H2,1H3,(H,23,24).
What are the key properties of 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid?
4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-benzyl-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 73074090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).