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

• ChemBase ID: 263040
• Molecular Formular: C12H23N3O
• Molecular Mass: 225.33052
• Monoisotopic Mass: 225.18411237
• SMILES: C(=O)(NC1CCNCC1)NC1CCCCC1
• Canonical SMILES: O=C(NC1CCNCC1)NC1CCCCC1
• InChI: InChI=1S/C12H23N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h10-11,13H,1-9H2,(H2,14,15,16)
• InChIKey: KFISGQPZWHFTLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05250445
• PubChem SID: 164318950
• PubChem CID: 1445163

CALCULATED PROPERTIES

• Acid pKa: 15.408335
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -2.6936538
• LogD (pH = 7.4): -2.0092967
• Log P: 0.526547
• Molar Refractivity: 64.1066 cm^3
• Polarizability: 25.245182 Å^3
• Polar Surface Area: 53.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.095

Product Information

• Purity: 95%