1-[3-(piperidine-1-carbonyl)pyridin-2-yl]piperazine

• ChemBase ID: 297638
• Molecular Formular: C15H22N4O
• Molecular Mass: 274.36138
• Monoisotopic Mass: 274.17936134
• SMILES: c1cc(c(nc1)N1CCNCC1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1cccnc1N1CCNCC1)N1CCCCC1
• InChI: InChI=1S/C15H22N4O/c20-15(19-9-2-1-3-10-19)13-5-4-6-17-14(13)18-11-7-16-8-12-18/h4-6,16H,1-3,7-12H2
• InChIKey: WIVGCIGQDNMDQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(piperidine-1-carbonyl)pyridin-2-yl]piperazine
• IUPAC Traditional name: 1-[3-(piperidine-1-carbonyl)pyridin-2-yl]piperazine
• Synonyms: 1-[2-(1-Piperazino)nicotinoyl]piperidine; 1-[3-(1-Piperidinylcarbonyl)-2-pyridyl]piperazine; 1-[2-(1-Piperazinyl)nicotinoyl]piperidine; 1-[2-(1-哌嗪基)烟酰基]哌啶

Database IDs

• MDL Number: MFCD08061020
• PubChem SID: 180683169
• PubChem CID: 24208833

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8672864
• LogD (pH = 7.4): -0.27379692
• Log P: 1.070505
• Molar Refractivity: 80.4124 cm^3
• Polarizability: 30.047121 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A