1-[4-(propan-2-yl)cyclohexyl]piperazine

• ChemBase ID: 236332
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N1(C2CCC(CC2)C(C)C)CCNCC1
• Canonical SMILES: CC(C1CCC(CC1)N1CCNCC1)C
• InChI: InChI=1S/C13H26N2/c1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15/h11-14H,3-10H2,1-2H3
• InChIKey: BWZWASSNJIBIDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(propan-2-yl)cyclohexyl]piperazine
• IUPAC Traditional name: 1-(4-isopropylcyclohexyl)piperazine
• Synonyms: 1-[4-(propan-2-yl)cyclohexyl]piperazine

Database IDs

• MDL Number: MFCD16853363
• PubChem SID: 164292242
• PubChem CID: 62708641

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1101286
• LogD (pH = 7.4): 0.14410348
• Log P: 2.4721184
• Molar Refractivity: 65.4559 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.15

Product Information

• Purity: 95%