2-(3-phenylpropyl)piperidine hydrochloride

• ChemBase ID: 242208
• Molecular Formular: C14H22ClN
• Molecular Mass: 239.78418
• Monoisotopic Mass: 239.14407739
• SMILES: N1C(CCCc2ccccc2)CCCC1.Cl
• Canonical SMILES: C1CCC(NC1)CCCc1ccccc1.Cl
• InChI: InChI=1S/C14H21N.ClH/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14;/h1-3,7-8,14-15H,4-6,9-12H2;1H
• InChIKey: ONCFWIIRDYRLIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(3-phenylpropyl)piperidine hydrochloride
• Synonyms: 2-(3-phenylpropyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD22565999
• PubChem SID: 164298118
• PubChem CID: 71756959

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.38376465
• LogD (pH = 7.4): 0.71043944
• Log P: 3.6195264
• Molar Refractivity: 65.0752 cm^3
• Polarizability: 25.854464 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 3.93

Product Information

• Purity: 95%