1-(piperidin-4-yl)azepane

• ChemBase ID: 308443
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CCNCC2)CCCCCC1
• Canonical SMILES: C1CCCN(CC1)C1CCNCC1
• InChI: InChI=1S/C11H22N2/c1-2-4-10-13(9-3-1)11-5-7-12-8-6-11/h11-12H,1-10H2
• InChIKey: YEXWRRMPRFUMJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)azepane
• IUPAC Traditional name: 1-(piperidin-4-yl)azepane
• Synonyms: 1-(4-piperidinyl)azepane

Database IDs

• CAS Number: 436099-86-4
• MDL Number: MFCD03274734

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8890195
• LogD (pH = 7.4): -2.9510467
• Log P: 1.1288625
• Molar Refractivity: 56.8875 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2