1-(4-methoxybenzoyl)piperidin-4-amine hydrochloride

• ChemBase ID: 33886
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: C(=O)(N1CCC(CC1)N)c1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)C(=O)N1CCC(CC1)N.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c1-17-12-4-2-10(3-5-12)13(16)15-8-6-11(14)7-9-15;/h2-5,11H,6-9,14H2,1H3;1H
• InChIKey: QQHMHZNBSHZACM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxybenzoyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(4-methoxybenzoyl)piperidin-4-amine hydrochloride
• Synonyms: 1-(4-Methoxybenzoyl)piperidin-4-amine hydrochloride; (4-aminopiperidin-1-yl)(4-methoxyphenyl)methanone hydrochloride

Database IDs

• MDL Number: MFCD09455690
• PubChem SID: 160997193
• PubChem CID: 17221650

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6930828
• LogD (pH = 7.4): -2.1241398
• Log P: 0.32474476
• Molar Refractivity: 66.7748 cm^3
• Polarizability: 25.681131 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: HCl