1-[3-(piperidin-1-yl)propyl]piperazine

• ChemBase ID: 91279
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: N1(CCNCC1)CCCN1CCCCC1
• Canonical SMILES: C1CCN(CC1)CCCN1CCNCC1
• InChI: InChI=1S/C12H25N3/c1-2-7-14(8-3-1)9-4-10-15-11-5-13-6-12-15/h13H,1-12H2
• InChIKey: BUNQOMWDCRZFPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(piperidin-1-yl)propyl]piperazine
• IUPAC Traditional name: 1-[3-(piperidin-1-yl)propyl]piperazine
• Synonyms: 1-[3-(1-Piperidino)propyl]piperazine 98%

Database IDs

• MDL Number: MFCD01320896
• PubChem SID: 162077983
• PubChem CID: 2737253

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.952665
• LogD (pH = 7.4): -3.5077577
• Log P: 0.5832115
• Molar Refractivity: 65.77 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 116-118°C

Safety Information

• Storage Warning: Irritant