1-(2-ethoxyethyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

• ChemBase ID: 827016
• Molecular Formular: C18H28N2O
• Molecular Mass: 288.42772
• Monoisotopic Mass: 288.22016353
• SMILES: N1(C2Cc3c(CC2)cccc3)CCN(CC1)CCOCC
• Canonical SMILES: CCOCCN1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C18H28N2O/c1-2-21-14-13-19-9-11-20(12-10-19)18-8-7-16-5-3-4-6-17(16)15-18/h3-6,18H,2,7-15H2,1H3
• InChIKey: CLPPLIWJEXOFIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyethyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• IUPAC Traditional name: 1-(2-ethoxyethyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• Synonyms: 1-(2-ethoxyethyl)-4-(1,2,3,4-tetrahydro-2-naphthalenyl)piperazine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.2058463
• LogD (pH = 7.4): 1.4581487
• Log P: 2.90448
• Molar Refractivity: 88.7787 cm^3
• Polarizability: 34.58542 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 2.26
• LOG S: -2.23