N-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine

• ChemBase ID: 770239
• Molecular Formular: C20H34N4O
• Molecular Mass: 346.51016
• Monoisotopic Mass: 346.27326173
• SMILES: N1(Cc2ncccc2)CC(NCC(CN2CCOCC2)(C)C)CCC1
• Canonical SMILES: CC(CN1CCOCC1)(CNC1CCCN(C1)Cc1ccccn1)C
• InChI: InChI=1S/C20H34N4O/c1-20(2,17-23-10-12-25-13-11-23)16-22-19-7-5-9-24(15-19)14-18-6-3-4-8-21-18/h3-4,6,8,19,22H,5,7,9-17H2,1-2H3
• InChIKey: UFSLOEGXVQNYSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: N-[2-methyl-2-(morpholin-4-ylmethyl)propyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
• Synonyms: N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1-(2-pyridinylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.3045118
• LogD (pH = 7.4): -0.8014977
• Log P: 1.7113822
• Molar Refractivity: 102.5755 cm^3
• Polarizability: 40.88045 Å^3
• Polar Surface Area: 40.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.23
• LOG S: -0.38
• Polar Surface Area: 40.63 Å^2
• Rotatable Bonds: 7