N-methyl-N-(oxolan-2-ylmethyl)-1-(propan-2-yl)piperidin-4-amine

• ChemBase ID: 524401
• Molecular Formular: C14H28N2O
• Molecular Mass: 240.38492
• Monoisotopic Mass: 240.22016353
• SMILES: N1(CCC(N(CC2OCCC2)C)CC1)C(C)C
• Canonical SMILES: CN(C1CCN(CC1)C(C)C)CC1CCCO1
• InChI: InChI=1S/C14H28N2O/c1-12(2)16-8-6-13(7-9-16)15(3)11-14-5-4-10-17-14/h12-14H,4-11H2,1-3H3
• InChIKey: QETWGALKWRVLME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxolan-2-ylmethyl)-1-(propan-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-isopropyl-N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
• Synonyms: 1-isopropyl-N-methyl-N-(tetrahydro-2-furanylmethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -4.0436683
• LogD (pH = 7.4): -1.5396821
• Log P: 1.4089476
• Molar Refractivity: 72.8613 cm^3
• Polarizability: 28.812555 Å^3
• Polar Surface Area: 15.71 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: 1.68
• LOG S: -1.38
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4