N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-ethylpiperidin-3-amine

• ChemBase ID: 412526
• Molecular Formular: C18H35N3
• Molecular Mass: 293.4906
• Monoisotopic Mass: 293.28309814
• SMILES: N1(CCC(CNC2CN(CCC2)CC)CC1)C1CCCC1
• Canonical SMILES: CCN1CCCC(C1)NCC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C18H35N3/c1-2-20-11-5-6-17(15-20)19-14-16-9-12-21(13-10-16)18-7-3-4-8-18/h16-19H,2-15H2,1H3
• InChIKey: WCOBHBJVUXGATQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-ethylpiperidin-3-amine
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-ethylpiperidin-3-amine
• Synonyms: N-[(1-cyclopentylpiperidin-4-yl)methyl]-1-ethylpiperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.411708
• LogD (pH = 7.4): -3.307167
• Log P: 2.4902472
• Molar Refractivity: 91.3546 cm^3
• Polarizability: 36.316013 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.96
• LOG S: -2.86
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 5