2-(2-phenylethyl)piperidine hydrochloride

• ChemBase ID: 30537
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: N1C(CCc2ccccc2)CCCC1.Cl
• Canonical SMILES: C1CCC(NC1)CCc1ccccc1.Cl
• InChI: InChI=1S/C13H19N.ClH/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13;/h1-3,6-7,13-14H,4-5,8-11H2;1H
• InChIKey: LKRVIZWTPZPKQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(2-phenylethyl)piperidine hydrochloride
• Synonyms: 2-Phenethyl-piperidine hydrochloride

Database IDs

• MDL Number: MFCD11506468
• PubChem SID: 160993844
• PubChem CID: 46736416

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.055425078
• LogD (pH = 7.4): 0.431919
• Log P: 3.1749578
• Molar Refractivity: 60.4742 cm^3
• Polarizability: 24.007336 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false