1-cyclohexyl-4-(piperidin-3-yl)piperazine

• ChemBase ID: 272137
• Molecular Formular: C15H29N3
• Molecular Mass: 251.41086
• Monoisotopic Mass: 251.23614794
• SMILES: N1(CCN(CC1)C1CNCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)N1CCN(CC1)C1CCCNC1
• InChI: InChI=1S/C15H29N3/c1-2-5-14(6-3-1)17-9-11-18(12-10-17)15-7-4-8-16-13-15/h14-16H,1-13H2
• InChIKey: ICUJHYCCLADBQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-(piperidin-3-yl)piperazine
• IUPAC Traditional name: 1-cyclohexyl-4-(piperidin-3-yl)piperazine
• Synonyms: 1-cyclohexyl-4-(piperidin-3-yl)piperazine

Database IDs

• MDL Number: MFCD18089510
• PubChem SID: 164328047
• PubChem CID: 50986272

CALCULATED PROPERTIES

• Polarizability: 30.777658 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.5633655
• LogD (pH = 7.4): -2.2911131
• Log P: 1.9377207
• Molar Refractivity: 76.988 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.101

Product Information

• Purity: 95%