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

• ChemBase ID: 772040
• Molecular Formular: C15H30N2O
• Molecular Mass: 254.4115
• Monoisotopic Mass: 254.23581359
• SMILES: N1(CCC(CC1)N(CCCC1OCCC1)C)CC
• Canonical SMILES: CCN1CCC(CC1)N(CCCC1CCCO1)C
• InChI: InChI=1S/C15H30N2O/c1-3-17-11-8-14(9-12-17)16(2)10-4-6-15-7-5-13-18-15/h14-15H,3-13H2,1-2H3
• InChIKey: QXJWXGFUFKLZGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.8294888
• LogD (pH = 7.4): -1.7890625
• Log P: 1.569695
• Molar Refractivity: 77.9525 cm^3
• Polarizability: 30.657467 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: 1.49
• LOG S: -1.32
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6