4-(2-methylphenyl)piperidine hydrochloride

• ChemBase ID: 19423
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: c1(c(C)cccc1)C1CCNCC1.Cl
• Canonical SMILES: Cc1ccccc1C1CCNCC1.Cl
• InChI: InChI=1S/C12H17N.ClH/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;/h2-5,11,13H,6-9H2,1H3;1H
• InChIKey: UJEPFWNSLTXXGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylphenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-methylphenyl)piperidine hydrochloride
• Synonyms: 4-(2-Methylphenyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD02178908
• PubChem SID: 160982730
• PubChem CID: 21936956

CALCULATED PROPERTIES

• Molar Refractivity: 56.5202 cm^3
• Polarizability: 22.077387 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6306941
• LogD (pH = 7.4): 0.017956033
• Log P: 2.591732

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false