3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-N,N-dimethylaniline

• ChemBase ID: 615989
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: C(=O)(N1C(CCCOC)CCCC1)c1cc(N(C)C)ccc1
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1cccc(c1)N(C)C
• InChI: InChI=1S/C18H28N2O2/c1-19(2)17-10-6-8-15(14-17)18(21)20-12-5-4-9-16(20)11-7-13-22-3/h6,8,10,14,16H,4-5,7,9,11-13H2,1-3H3
• InChIKey: UGOYCBWRGAWIMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-N,N-dimethylaniline
• IUPAC Traditional name: 3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-N,N-dimethylaniline
• Synonyms: (3-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}phenyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8124864
• LogD (pH = 7.4): 2.81967
• Log P: 2.8197622
• Molar Refractivity: 91.7241 cm^3
• Polarizability: 34.517982 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.0
• LOG S: -3.13
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6