1-(oxan-4-yl)piperidin-4-amine

• ChemBase ID: 308939
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CCC(CC1)N)C1CCOCC1
• Canonical SMILES: NC1CCN(CC1)C1CCOCC1
• InChI: InChI=1S/C10H20N2O/c11-9-1-5-12(6-2-9)10-3-7-13-8-4-10/h9-10H,1-8,11H2
• InChIKey: BFEWWTCNTUFKDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxan-4-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(oxan-4-yl)piperidin-4-amine
• Synonyms: 1-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine

Database IDs

• CAS Number: 794471-13-9
• MDL Number: MFCD11849339

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.7798786
• LogD (pH = 7.4): -4.848967
• Log P: -0.63746667
• Molar Refractivity: 53.8454 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 38.49 Å^2