4-(3-phenylpropyl)piperidine hydrochloride

• ChemBase ID: 813553
• Molecular Formular: C14H22ClN
• Molecular Mass: 239.78418
• Monoisotopic Mass: 239.14407739
• SMILES: Cl.C1(CCNCC1)CCCc1ccccc1
• Canonical SMILES: N1CCC(CC1)CCCc1ccccc1.Cl
• InChI: InChI=1S/C14H21N.ClH/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14;/h1-3,5-6,14-15H,4,7-12H2;1H
• InChIKey: DTYWENFVDLKMSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-phenylpropyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(3-phenylpropyl)piperidine hydrochloride
• Synonyms: 4-(3-PHENYL-PROPYL)-PIPERIDINE HCL

Database IDs

• CAS Number: 76000-08-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.18042822
• LogD (pH = 7.4): 0.6367443
• Log P: 3.4120166
• Molar Refractivity: 65.282 cm^3
• Polarizability: 25.854467 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%