1-(piperidine-1-carbonyl)piperazine hydrochloride

• ChemBase ID: 253052
• Molecular Formular: C10H20ClN3O
• Molecular Mass: 233.7383
• Monoisotopic Mass: 233.12948996
• SMILES: C(=O)(N1CCCCC1)N1CCNCC1.Cl
• Canonical SMILES: O=C(N1CCNCC1)N1CCCCC1.Cl
• InChI: InChI=1S/C10H19N3O.ClH/c14-10(12-6-2-1-3-7-12)13-8-4-11-5-9-13;/h11H,1-9H2;1H
• InChIKey: MVVASCZXTJEOAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-1-carbonyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(piperidine-1-carbonyl)piperazine hydrochloride
• Synonyms: 1-(piperidin-1-ylcarbonyl)piperazine hydrochloride

Database IDs

• CAS Number: 41340-88-9
• MDL Number: MFCD08692010
• PubChem SID: 164308962
• PubChem CID: 17400264

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.425957
• LogD (pH = 7.4): -0.7125785
• Log P: -0.15469183
• Molar Refractivity: 55.6268 cm^3
• Polarizability: 21.566858 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 255 - 257°C
• Hydrophobicity(logP): 1.415

Product Information

• Purity: 95%
• Salt Data: HCl