2-methyl-1-[2-(piperidin-4-yl)ethyl]piperidine

• ChemBase ID: 239084
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N1(CCC2CCNCC2)C(C)CCCC1
• Canonical SMILES: CC1CCCCN1CCC1CCNCC1
• InChI: InChI=1S/C13H26N2/c1-12-4-2-3-10-15(12)11-7-13-5-8-14-9-6-13/h12-14H,2-11H2,1H3
• InChIKey: KLTZAMHUSRKUGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-[2-(piperidin-4-yl)ethyl]piperidine
• IUPAC Traditional name: 2-methyl-1-[2-(piperidin-4-yl)ethyl]piperidine
• Synonyms: 2-methyl-1-[2-(piperidin-4-yl)ethyl]piperidine

Database IDs

• MDL Number: MFCD10691933
• PubChem SID: 164294994
• PubChem CID: 43149906

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7842317
• LogD (pH = 7.4): -3.6614246
• Log P: 1.9280845
• Molar Refractivity: 66.2013 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.49

Product Information

• Purity: 95%