1-(piperidin-3-ylmethyl)-4-(pyridin-2-yl)piperazine

• ChemBase ID: 266426
• Molecular Formular: C15H24N4
• Molecular Mass: 260.37786
• Monoisotopic Mass: 260.20009679
• SMILES: N1(c2ncccc2)CCN(CC2CNCCC2)CC1
• Canonical SMILES: C1CCC(CN1)CN1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C15H24N4/c1-2-7-17-15(5-1)19-10-8-18(9-11-19)13-14-4-3-6-16-12-14/h1-2,5,7,14,16H,3-4,6,8-13H2
• InChIKey: YBHAJIYLLVWXBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-3-ylmethyl)-4-(pyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(piperidin-3-ylmethyl)-4-(pyridin-2-yl)piperazine
• Synonyms: 1-(piperidin-3-ylmethyl)-4-(pyridin-2-yl)piperazine

Database IDs

• MDL Number: MFCD05215151
• PubChem SID: 164322336
• PubChem CID: 43199638

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4924622
• LogD (pH = 7.4): -1.5354694
• Log P: 1.45111
• Molar Refractivity: 79.5689 cm^3
• Polarizability: 30.59206 Å^3
• Polar Surface Area: 31.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): 1.641

Product Information

• Purity: 95%