2-phenylpiperidine hydrochloride

• ChemBase ID: 19381
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: N1C(c2ccccc2)CCCC1.Cl
• Canonical SMILES: C1CCC(NC1)c1ccccc1.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-3,6-7,11-12H,4-5,8-9H2;1H
• InChIKey: YNQTWZUWWFUKSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpiperidine hydrochloride
• IUPAC Traditional name: 2-phenylpiperidine hydrochloride
• Synonyms: 2-Phenylpiperidine hydrochloride

Database IDs

• CAS Number: 3466-80-6
• MDL Number: MFCD02179093
• PubChem SID: 160982688
• PubChem CID: 17814274

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7595009
• LogD (pH = 7.4): 0.14360544
• Log P: 2.4417279
• Molar Refractivity: 51.1182 cm^3
• Polarizability: 20.390646 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