N-[(3R,4R)-4-(piperidin-1-yl)oxolan-3-yl]-3-azaspiro[5.5]undecan-9-amine

• ChemBase ID: 852263
• Molecular Formular: C19H35N3O
• Molecular Mass: 321.5007
• Monoisotopic Mass: 321.27801276
• SMILES: [C@H]1([C@@H](N2CCCCC2)COC1)NC1CCC2(CC1)CCNCC2
• Canonical SMILES: C1CCN(CC1)[C@H]1COC[C@@H]1NC1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C19H35N3O/c1-2-12-22(13-3-1)18-15-23-14-17(18)21-16-4-6-19(7-5-16)8-10-20-11-9-19/h16-18,20-21H,1-15H2/t17-,18-/m0/s1
• InChIKey: CASJVZWXSQNMCG-ROUUACIJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4R)-4-(piperidin-1-yl)oxolan-3-yl]-3-azaspiro[5.5]undecan-9-amine
• IUPAC Traditional name: N-[(3R,4R)-4-(piperidin-1-yl)oxolan-3-yl]-3-azaspiro[5.5]undecan-9-amine
• Synonyms: N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]-3-azaspiro[5.5]undecan-9-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.338477
• LogD (pH = 7.4): -3.2568145
• Log P: 1.8235583
• Molar Refractivity: 94.5375 cm^3
• Polarizability: 38.091038 Å^3
• Polar Surface Area: 36.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.06
• LOG S: -3.15
• Polar Surface Area: 36.53 Å^2
• Rotatable Bonds: 3