4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride

C19H23ClN2O2 — CID 51062761

IUPAC4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2.ClH/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);1H
InChIKeyXPWBXWQFCBZDLL-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.64
Rot. Bonds5

About 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride

4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 51062761) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID51062761
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2.ClH/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);1H
InChIKeyXPWBXWQFCBZDLL-UHFFFAOYSA-N
XLogP3.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride (CID 51062761) is 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is XPWBXWQFCBZDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);1H.
What are the key properties of 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride?
4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-benzylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 51062761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).