1-(piperidine-4-carbonyl)piperazine dihydrochloride

• ChemBase ID: 262544
• Molecular Formular: C10H21Cl2N3O
• Molecular Mass: 270.19924
• Monoisotopic Mass: 269.10616767
• SMILES: C(=O)(N1CCNCC1)C1CCNCC1.Cl.Cl
• Canonical SMILES: O=C(N1CCNCC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H19N3O.2ClH/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13;;/h9,11-12H,1-8H2;2*1H
• InChIKey: GEBKNNRUHFOFJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-4-carbonyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(piperidine-4-carbonyl)piperazine dihydrochloride
• Synonyms: 1-(piperidin-4-ylcarbonyl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD12913191
• PubChem SID: 164318454
• PubChem CID: 45792104

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.51614
• LogD (pH = 7.4): -4.217653
• Log P: -1.0152867
• Molar Refractivity: 55.4463 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 302 - 304°C
• Hydrophobicity(logP): -1.215

Product Information

• Purity: 95%