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

• ChemBase ID: 55231
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: N1(C(=O)CCCC)CCC(CC1)N.Cl
• Canonical SMILES: CCCCC(=O)N1CCC(CC1)N.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-2-3-4-10(13)12-7-5-9(11)6-8-12;/h9H,2-8,11H2,1H3;1H
• InChIKey: PJUMPIMQDFSTKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09455686
• PubChem SID: 162059994
• PubChem CID: 17221644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.799915
• LogD (pH = 7.4): -2.2309785
• Log P: 0.21791478
• Molar Refractivity: 53.47 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false