3-(piperidin-1-ylmethyl)piperidine

• ChemBase ID: 90081
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CC2CCCNC2)CCCCC1
• Canonical SMILES: C1CCC(CN1)CN1CCCCC1
• InChI: InChI=1S/C11H22N2/c1-2-7-13(8-3-1)10-11-5-4-6-12-9-11/h11-12H,1-10H2
• InChIKey: RJGUFVISCJPEBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-1-ylmethyl)piperidine
• IUPAC Traditional name: 3-(piperidin-1-ylmethyl)piperidine
• Synonyms: 1-(Piperidin-3-ylmethyl)piperidine

Database IDs

• CAS Number: 81310-56-7
• MDL Number: MFCD05215125
• PubChem SID: 162076936
• PubChem CID: 12802904

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.915784
• LogD (pH = 7.4): -2.8630416
• Log P: 1.1864513
• Molar Refractivity: 57.0057 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant