N-[4-(piperidin-3-ylmethoxy)phenyl]acetamide hydrochloride

• ChemBase ID: 47251
• Molecular Formular: C14H21ClN2O2
• Molecular Mass: 284.78174
• Monoisotopic Mass: 284.1291556
• SMILES: C(=O)(Nc1ccc(OCC2CNCCC2)cc1)C.Cl
• Canonical SMILES: CC(=O)Nc1ccc(cc1)OCC1CCCNC1.Cl
• InChI: InChI=1S/C14H20N2O2.ClH/c1-11(17)16-13-4-6-14(7-5-13)18-10-12-3-2-8-15-9-12;/h4-7,12,15H,2-3,8-10H2,1H3,(H,16,17);1H
• InChIKey: ICJBAJJMWDTKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(piperidin-3-ylmethoxy)phenyl]acetamide hydrochloride
• IUPAC Traditional name: N-[4-(piperidin-3-ylmethoxy)phenyl]acetamide hydrochloride
• Synonyms: N-[4-(3-Piperidinylmethoxy)phenyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD13561125
• PubChem SID: 162052014
• PubChem CID: 56831110

CALCULATED PROPERTIES

• Acid pKa: 14.976954
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0226867
• LogD (pH = 7.4): -1.3650993
• Log P: 1.1992006
• Molar Refractivity: 72.2598 cm^3
• Polarizability: 27.728235 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false