N-(2-phenoxyethyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 277320
• Molecular Formular: C13H22Cl2N2O
• Molecular Mass: 293.23258
• Monoisotopic Mass: 292.11091869
• SMILES: N1CCC(NCCOc2ccccc2)CC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)NCCOc1ccccc1.Cl.Cl
• InChI: InChI=1S/C13H20N2O.2ClH/c1-2-4-13(5-3-1)16-11-10-15-12-6-8-14-9-7-12;;/h1-5,12,14-15H,6-11H2;2*1H
• InChIKey: LIFJSAYBDASSMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenoxyethyl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-(2-phenoxyethyl)piperidin-4-amine dihydrochloride
• Synonyms: N-(2-phenoxyethyl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD19686420
• PubChem SID: 164333230
• PubChem CID: 54594610

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.414934
• LogD (pH = 7.4): -2.2541683
• Log P: 1.0949293
• Molar Refractivity: 65.402 cm^3
• Polarizability: 26.23891 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 1.179

Product Information

• Purity: 95%