1-benzyl-3-ethylpiperazine

• ChemBase ID: 77812
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(Cc2ccccc2)CCNC(C1)CC
• Canonical SMILES: CCC1NCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-2-13-11-15(9-8-14-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
• InChIKey: CTPKPBTULPZITK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-ethylpiperazine
• IUPAC Traditional name: 1-benzyl-3-ethylpiperazine
• Synonyms: 1-Benzyl-3-ethylpiperazine

Database IDs

• MDL Number: MFCD03265492
• PubChem SID: 162104383
• PubChem CID: 22036541

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1519158
• LogD (pH = 7.4): 0.116862215
• Log P: 2.3178117
• Molar Refractivity: 64.2989 cm^3
• Polarizability: 25.600323 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.923

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%