4-(piperidin-1-ylmethyl)piperidine

• ChemBase ID: 15744
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1CCC(CC1)CN1CCCCC1
• Canonical SMILES: C1CCN(CC1)CC1CCNCC1
• InChI: InChI=1S/C11H22N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h11-12H,1-10H2
• InChIKey: KQUQJHZJTWYGAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-ylmethyl)piperidine
• IUPAC Traditional name: 4-(piperidin-1-ylmethyl)piperidine
• Synonyms: 1-(Piperidin-4-ylmethyl)piperidine

Database IDs

• CAS Number: 32470-52-3
• MDL Number: MFCD05215178
• PubChem SID: 160979051
• PubChem CID: 12802905

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.5324454
• LogD (pH = 7.4): -4.1507764
• Log P: 1.1448945
• Molar Refractivity: 57.1045 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
• TSCA Listed: false