1-methylpiperidin-3-yl 2-(4-methoxyphenyl)acetate hydrochloride

• ChemBase ID: 192559
• Molecular Formular: C15H22ClNO3
• Molecular Mass: 299.79308
• Monoisotopic Mass: 299.12882125
• SMILES: C(=O)(OC1CN(CCC1)C)Cc1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)CC(=O)OC1CCCN(C1)C.Cl
• InChI: InChI=1S/C15H21NO3.ClH/c1-16-9-3-4-14(11-16)19-15(17)10-12-5-7-13(18-2)8-6-12;/h5-8,14H,3-4,9-11H2,1-2H3;1H
• InChIKey: MEBVPZNXXJBFPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidin-3-yl 2-(4-methoxyphenyl)acetate hydrochloride
• IUPAC Traditional name: 1-methylpiperidin-3-yl 2-(4-methoxyphenyl)acetate hydrochloride

Database IDs

• PubChem SID: 164248469
• PubChem CID: 2927447

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5151604
• LogD (pH = 7.4): 1.2584295
• Log P: 2.083426
• Molar Refractivity: 73.8282 cm^3
• Polarizability: 29.136656 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds