6-methyl-2-phenyl-3-(prop-1-en-2-yl)piperidine hydrochloride

• ChemBase ID: 188850
• Molecular Formular: C15H22ClN
• Molecular Mass: 251.79488
• Monoisotopic Mass: 251.14407739
• SMILES: C1(NC(CCC1C(=C)C)C)c1ccccc1.Cl
• Canonical SMILES: CC1CCC(C(N1)c1ccccc1)C(=C)C.Cl
• InChI: InChI=1S/C15H21N.ClH/c1-11(2)14-10-9-12(3)16-15(14)13-7-5-4-6-8-13;/h4-8,12,14-16H,1,9-10H2,2-3H3;1H
• InChIKey: LBSUMSXPYRKIML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-phenyl-3-(prop-1-en-2-yl)piperidine hydrochloride
• IUPAC Traditional name: 6-methyl-2-phenyl-3-(prop-1-en-2-yl)piperidine hydrochloride

Database IDs

• PubChem SID: 164244760
• PubChem CID: 52993628

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.39272606
• LogD (pH = 7.4): 1.1563967
• Log P: 3.6072176
• Molar Refractivity: 68.9357 cm^3
• Polarizability: 27.549349 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Description: Diastereomers
• Classification: Rare Derivatives of Natural Compounds