3-[2-(piperidin-1-yl)ethyl]piperidine

• ChemBase ID: 50472
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(CCC2CNCCC2)CCCCC1
• Canonical SMILES: C1CCC(CN1)CCN1CCCCC1
• InChI: InChI=1S/C12H24N2/c1-2-8-14(9-3-1)10-6-12-5-4-7-13-11-12/h12-13H,1-11H2
• InChIKey: UWFRCXKCOKNPMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(piperidin-1-yl)ethyl]piperidine
• IUPAC Traditional name: 3-[2-(piperidin-1-yl)ethyl]piperidine
• Synonyms: 1-[2-(3-Piperidinyl)ethyl]piperidine

Database IDs

• MDL Number: MFCD13563025
• PubChem SID: 162055235
• PubChem CID: 15057310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.10757
• LogD (pH = 7.4): -3.848307
• Log P: 1.5894632
• Molar Refractivity: 61.7055 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false