4-(3-phenylpropoxy)piperidine hydrochloride

• ChemBase ID: 15396
• Molecular Formular: C14H22ClNO
• Molecular Mass: 255.78358
• Monoisotopic Mass: 255.13899201
• SMILES: N1CCC(CC1)OCCCc1ccccc1.Cl
• Canonical SMILES: N1CCC(CC1)OCCCc1ccccc1.Cl
• InChI: InChI=1S/C14H21NO.ClH/c1-2-5-13(6-3-1)7-4-12-16-14-8-10-15-11-9-14;/h1-3,5-6,14-15H,4,7-12H2;1H
• InChIKey: QOCUUSYQCITRKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-phenylpropoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(3-phenylpropoxy)piperidine hydrochloride
• Synonyms: 4-(3-Phenylpropoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD09442326
• PubChem SID: 160978703
• PubChem CID: 17202826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9939244
• LogD (pH = 7.4): -0.30551842
• Log P: 2.2260106
• Molar Refractivity: 67.1375 cm^3
• Polarizability: 26.50008 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 1.9

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%