1-(4-aminopiperidin-1-yl)hexan-1-one hydrochloride

• ChemBase ID: 55232
• Molecular Formular: C11H23ClN2O
• Molecular Mass: 234.76612
• Monoisotopic Mass: 234.14989105
• SMILES: N1(C(=O)CCCCC)CCC(CC1)N.Cl
• Canonical SMILES: CCCCCC(=O)N1CCC(CC1)N.Cl
• InChI: InChI=1S/C11H22N2O.ClH/c1-2-3-4-5-11(14)13-8-6-10(12)7-9-13;/h10H,2-9,12H2,1H3;1H
• InChIKey: NJCCOURFYAEHLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminopiperidin-1-yl)hexan-1-one hydrochloride
• IUPAC Traditional name: 1-(4-aminopiperidin-1-yl)hexan-1-one hydrochloride
• Synonyms: 1-Hexanoylpiperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD09455688
• PubChem SID: 162059995
• PubChem CID: 17221647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3553464
• LogD (pH = 7.4): -1.7864097
• Log P: 0.66248345
• Molar Refractivity: 58.071 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false