1-(cyclohexylmethyl)piperidine-3-carbohydrazide

• ChemBase ID: 15812
• Molecular Formular: C13H25N3O
• Molecular Mass: 239.3571
• Monoisotopic Mass: 239.19976244
• SMILES: C1C(CN(CC1)CC1CCCCC1)C(=O)NN
• Canonical SMILES: NNC(=O)C1CCCN(C1)CC1CCCCC1
• InChI: InChI=1S/C13H25N3O/c14-15-13(17)12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h11-12H,1-10,14H2,(H,15,17)
• InChIKey: KNJUMRGGNBYWIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)piperidine-3-carbohydrazide
• IUPAC Traditional name: 1-(cyclohexylmethyl)piperidine-3-carbohydrazide
• Synonyms: 1-(Cyclohexylmethyl)piperidine-3-carbohydrazide

Database IDs

• MDL Number: MFCD06800479
• PubChem SID: 160979119
• PubChem CID: 45075063

CALCULATED PROPERTIES

• Acid pKa: 13.3012705
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0558243
• LogD (pH = 7.4): -1.4607162
• Log P: 1.4300525
• Molar Refractivity: 70.2673 cm^3
• Polarizability: 27.376463 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false