1-[(1-ethylpiperidin-4-yl)methyl]-4-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 849873
• Molecular Formular: C17H33N3
• Molecular Mass: 279.46402
• Monoisotopic Mass: 279.26744807
• SMILES: N1(C2CCN(CC2)CC2CCN(CC2)CC)CCCC1
• Canonical SMILES: CCN1CCC(CC1)CN1CCC(CC1)N1CCCC1
• InChI: InChI=1S/C17H33N3/c1-2-18-11-5-16(6-12-18)15-19-13-7-17(8-14-19)20-9-3-4-10-20/h16-17H,2-15H2,1H3
• InChIKey: OFMQOVAGVWGGKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-ethylpiperidin-4-yl)methyl]-4-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-[(1-ethylpiperidin-4-yl)methyl]-4-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-ethyl-4-{[4-(1-pyrrolidinyl)-1-piperidinyl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -7.700209
• LogD (pH = 7.4): -4.153796
• Log P: 1.4669878
• Molar Refractivity: 87.9979 cm^3
• Polarizability: 34.4698 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.0
• LOG S: -0.26
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3