N-(pentan-3-yl)-1-(pyridin-3-ylmethyl)piperidin-3-amine

• ChemBase ID: 362009
• Molecular Formular: C16H27N3
• Molecular Mass: 261.40568
• Monoisotopic Mass: 261.22049788
• SMILES: N1(Cc2cnccc2)CC(NC(CC)CC)CCC1
• Canonical SMILES: CCC(NC1CCCN(C1)Cc1cccnc1)CC
• InChI: InChI=1S/C16H27N3/c1-3-15(4-2)18-16-8-6-10-19(13-16)12-14-7-5-9-17-11-14/h5,7,9,11,15-16,18H,3-4,6,8,10,12-13H2,1-2H3
• InChIKey: PRFLHOUPDZYTMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pentan-3-yl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: N-(pentan-3-yl)-1-(pyridin-3-ylmethyl)piperidin-3-amine
• Synonyms: N-(1-ethylpropyl)-1-(pyridin-3-ylmethyl)piperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.077773
• LogD (pH = 7.4): -0.3040587
• Log P: 2.616559
• Molar Refractivity: 80.5948 cm^3
• Polarizability: 32.04813 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.68
• LOG S: -1.08
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6