7-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 451902
• Molecular Formular: C18H33N3
• Molecular Mass: 291.47472
• Monoisotopic Mass: 291.26744807
• SMILES: N1(CC2(CN(CC3CC3)CCC2)CC1)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C18H33N3/c1-19-10-5-17(6-11-19)21-12-8-18(15-21)7-2-9-20(14-18)13-16-3-4-16/h16-17H,2-15H2,1H3
• InChIKey: LYIOJKAWXXCHMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclopropylmethyl)-2-(1-methyl-4-piperidinyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -6.269211
• LogD (pH = 7.4): -2.985144
• Log P: 1.5453352
• Molar Refractivity: 90.1628 cm^3
• Polarizability: 35.577423 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.61
• LOG S: -0.47
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3