4-(4-methylphenyl)piperidine hydrochloride

• ChemBase ID: 19443
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: N1CCC(c2ccc(cc2)C)CC1.Cl
• Canonical SMILES: Cc1ccc(cc1)C1CCNCC1.Cl
• InChI: InChI=1S/C12H17N.ClH/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H
• InChIKey: ROPXDRJXVYKIPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylphenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-methylphenyl)piperidine hydrochloride
• Synonyms: 4-(4-Methylphenyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD02178906
• PubChem SID: 160982750
• PubChem CID: 20351543

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6309123
• LogD (pH = 7.4): 0.0140628
• Log P: 2.591732
• Molar Refractivity: 56.5202 cm^3
• Polarizability: 22.077084 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false