3-phenylpiperidine hydrochloride

• ChemBase ID: 16381
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c1c(cccc1)C1CCCNC1.Cl
• Canonical SMILES: C1CCC(CN1)c1ccccc1.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h1-3,5-6,11-12H,4,7-9H2;1H
• InChIKey: OKVMJYYCFLIGFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylpiperidine hydrochloride
• IUPAC Traditional name: 3-phenyl-piperidine hydrochloride
• Synonyms: 3-Phenylpiperidine hydrochloride

Database IDs

• CAS Number: 19509-09-2
• MDL Number: MFCD02179092
• PubChem SID: 160979688
• PubChem CID: 17390008

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0659345
• LogD (pH = 7.4): -0.41349286
• Log P: 2.1562645
• Molar Refractivity: 51.402 cm^3
• Polarizability: 20.311394 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

Product Information

• Purity: 95+%