1-(4-amino-3-ethylpiperidin-1-yl)-2-methylpropan-1-one hydrochloride

• ChemBase ID: 242801
• Molecular Formular: C11H23ClN2O
• Molecular Mass: 234.76612
• Monoisotopic Mass: 234.14989105
• SMILES: N1(C(=O)C(C)C)CC(C(CC1)N)CC.Cl
• Canonical SMILES: CCC1CN(CCC1N)C(=O)C(C)C.Cl
• InChI: InChI=1S/C11H22N2O.ClH/c1-4-9-7-13(6-5-10(9)12)11(14)8(2)3;/h8-10H,4-7,12H2,1-3H3;1H
• InChIKey: SDXNWJDHUOVRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-amino-3-ethylpiperidin-1-yl)-2-methylpropan-1-one hydrochloride
• IUPAC Traditional name: 1-(4-amino-3-ethylpiperidin-1-yl)-2-methylpropan-1-one hydrochloride
• Synonyms: 1-(4-amino-3-ethylpiperidin-1-yl)-2-methylpropan-1-one hydrochloride

Database IDs

• MDL Number: MFCD22566092
• PubChem SID: 164298711
• PubChem CID: 71757085

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2234397
• LogD (pH = 7.4): -1.6810592
• Log P: 0.79565597
• Molar Refractivity: 57.8599 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.12

Product Information

• Purity: 95%