1-(piperidin-3-yl)azepane

• ChemBase ID: 272037
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CNCCC2)CCCCCC1
• Canonical SMILES: C1CCC(CN1)N1CCCCCC1
• InChI: InChI=1S/C11H22N2/c1-2-4-9-13(8-3-1)11-6-5-7-12-10-11/h11-12H,1-10H2
• InChIKey: AHEPPPZEXARNCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-3-yl)azepane
• IUPAC Traditional name: 1-(piperidin-3-yl)azepane
• Synonyms: 1-(piperidin-3-yl)azepane

Database IDs

• MDL Number: MFCD11641585
• PubChem SID: 164327947
• PubChem CID: 43317064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.57298
• LogD (pH = 7.4): -1.2002369
• Log P: 1.5862653
• Molar Refractivity: 56.6667 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.692

Product Information

• Purity: 95%