N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine

• ChemBase ID: 418828
• Molecular Formular: C19H30N2O
• Molecular Mass: 302.4543
• Monoisotopic Mass: 302.23581359
• SMILES: N1(C(CN(C2CCOCC2)C)CCCC1)Cc1ccccc1
• Canonical SMILES: CN(C1CCOCC1)CC1CCCCN1Cc1ccccc1
• InChI: InChI=1S/C19H30N2O/c1-20(18-10-13-22-14-11-18)16-19-9-5-6-12-21(19)15-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3
• InChIKey: QSPMGUMOSSHQEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine
• IUPAC Traditional name: N-[(1-benzylpiperidin-2-yl)methyl]-N-methyloxan-4-amine
• Synonyms: N-[(1-benzyl-2-piperidinyl)methyl]-N-methyltetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2895314
• LogD (pH = 7.4): 0.08207294
• Log P: 2.8046064
• Molar Refractivity: 92.9075 cm^3
• Polarizability: 36.589146 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.12
• LOG S: -0.55
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5