2-(piperidin-1-ylmethyl)piperidine

• ChemBase ID: 17749
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: C1(CN2CCCCC2)CCCCN1
• Canonical SMILES: C1CCC(NC1)CN1CCCCC1
• InChI: InChI=1S/C11H22N2/c1-4-8-13(9-5-1)10-11-6-2-3-7-12-11/h11-12H,1-10H2
• InChIKey: QYKGBJGIKHJGFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-ylmethyl)piperidine
• IUPAC Traditional name: 2-(piperidin-1-ylmethyl)piperidine
• Synonyms: Piperidino-[2]piperidyl-methane; 1-(piperidin-2-ylmethyl)piperidine

Database IDs

• CAS Number: 81310-55-6
• MDL Number: MFCD00085502
• PubChem SID: 160981056
• PubChem CID: 254290

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3948333
• LogD (pH = 7.4): -1.225576
• Log P: 1.5862653
• Molar Refractivity: 56.6667 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