N-methyl-N-[3-(oxolan-2-yl)propyl]-1-(propan-2-yl)piperidin-4-amine

• ChemBase ID: 335227
• Molecular Formular: C16H32N2O
• Molecular Mass: 268.43808
• Monoisotopic Mass: 268.25146365
• SMILES: N1(CCC(CC1)N(CCCC1OCCC1)C)C(C)C
• Canonical SMILES: CN(C1CCN(CC1)C(C)C)CCCC1CCCO1
• InChI: InChI=1S/C16H32N2O/c1-14(2)18-11-8-15(9-12-18)17(3)10-4-6-16-7-5-13-19-16/h14-16H,4-13H2,1-3H3
• InChIKey: KSUFFOUHGNQUQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[3-(oxolan-2-yl)propyl]-1-(propan-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-isopropyl-N-methyl-N-[3-(oxolan-2-yl)propyl]piperidin-4-amine
• Synonyms: 1-isopropyl-N-methyl-N-[3-(tetrahydro-2-furanyl)propyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.6580503
• LogD (pH = 7.4): -1.5372804
• Log P: 1.98627
• Molar Refractivity: 82.3713 cm^3
• Polarizability: 32.502605 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.79
• LOG S: -1.68
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6