1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one hydrochloride

• ChemBase ID: 144181
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: CC(C)C(=O)N1CCC(CC1)N.Cl
• Canonical SMILES: CC(C(=O)N1CCC(CC1)N)C.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-7(2)9(12)11-5-3-8(10)4-6-11;/h7-8H,3-6,10H2,1-2H3;1H
• InChIKey: GEDFPJVWJXSTGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one hydrochloride
• IUPAC Traditional name: 1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one hydrochloride
• Synonyms: 1-Isobutyryl-4-piperidinamine hydrochloride

Database IDs

• MDL Number: MFCD09455685
• PubChem SID: 162238398
• PubChem CID: 17221643

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1460648
• LogD (pH = 7.4): -2.5771294
• Log P: -0.12823628
• Molar Refractivity: 48.8425 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H19ClN2O

DETAILS

Sigma Aldrich - CBR00874

Other Notes
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Legal Information
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