(cyclohexylmethyl)({[1-(2-methoxyethyl)piperidin-4-yl]methyl})(pyridin-4-ylmethyl)amine

• ChemBase ID: 491828
• Molecular Formular: C22H37N3O
• Molecular Mass: 359.54868
• Monoisotopic Mass: 359.29366282
• SMILES: N(Cc1ccncc1)(CC1CCN(CC1)CCOC)CC1CCCCC1
• Canonical SMILES: COCCN1CCC(CC1)CN(Cc1ccncc1)CC1CCCCC1
• InChI: InChI=1S/C22H37N3O/c1-26-16-15-24-13-9-22(10-14-24)19-25(17-20-5-3-2-4-6-20)18-21-7-11-23-12-8-21/h7-8,11-12,20,22H,2-6,9-10,13-19H2,1H3
• InChIKey: CQFZEZPREYHSSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)({[1-(2-methoxyethyl)piperidin-4-yl]methyl})(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: (cyclohexylmethyl)({[1-(2-methoxyethyl)piperidin-4-yl]methyl})(pyridin-4-ylmethyl)amine
• Synonyms: (cyclohexylmethyl){[1-(2-methoxyethyl)-4-piperidinyl]methyl}(4-pyridinylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.4670901
• LogD (pH = 7.4): -1.2187908
• Log P: 3.251685
• Molar Refractivity: 109.5014 cm^3
• Polarizability: 43.0463 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.85
• LOG S: -1.7
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8