(E)-N-[1-(piperidin-1-yl)propan-2-ylidene]hydroxylamine

• ChemBase ID: 122251
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(C/C(=N/O)/C)CCCCC1
• Canonical SMILES: O/N=C(/CN1CCCCC1)\C
• InChI: InChI=1S/C8H16N2O/c1-8(9-11)7-10-5-3-2-4-6-10/h11H,2-7H2,1H3/b9-8+
• InChIKey: UUQTWPVYYBAXPW-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[1-(piperidin-1-yl)propan-2-ylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[1-(piperidin-1-yl)propan-2-ylidene]hydroxylamine
• Synonyms: (E)-1-(piperidin-1-yl)propan-2-one oxime

Database IDs

• PubChem SID: 162216604
• PubChem CID: 6273573

CALCULATED PROPERTIES

• Acid pKa: 10.278014
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.836716
• LogD (pH = 7.4): -0.068243004
• Log P: 0.85762423
• Molar Refractivity: 45.5875 cm^3
• Polarizability: 17.680605 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true