[3-(cyclopropylmethyl)-1-(4-methylpyridin-2-yl)piperidin-3-yl]methanol

• ChemBase ID: 784115
• Molecular Formular: C16H24N2O
• Molecular Mass: 260.37456
• Monoisotopic Mass: 260.1888634
• SMILES: N1(c2nccc(c2)C)CC(CC2CC2)(CO)CCC1
• Canonical SMILES: OCC1(CCCN(C1)c1nccc(c1)C)CC1CC1
• InChI: InChI=1S/C16H24N2O/c1-13-5-7-17-15(9-13)18-8-2-6-16(11-18,12-19)10-14-3-4-14/h5,7,9,14,19H,2-4,6,8,10-12H2,1H3
• InChIKey: WVJFAQKAPKAWSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(cyclopropylmethyl)-1-(4-methylpyridin-2-yl)piperidin-3-yl]methanol
• IUPAC Traditional name: [3-(cyclopropylmethyl)-1-(4-methylpyridin-2-yl)piperidin-3-yl]methanol
• Synonyms: [3-(cyclopropylmethyl)-1-(4-methylpyridin-2-yl)piperidin-3-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.070041
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6965023
• LogD (pH = 7.4): 2.7825933
• Log P: 2.9964952
• Molar Refractivity: 78.4192 cm^3
• Polarizability: 29.910717 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.64
• LOG S: -3.35
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 4