N,N-diethyl-3-(piperidin-3-yloxy)aniline hydrochloride

• ChemBase ID: 47046
• Molecular Formular: C15H25ClN2O
• Molecular Mass: 284.8248
• Monoisotopic Mass: 284.16554111
• SMILES: c1c(N(CC)CC)cccc1OC1CNCCC1.Cl
• Canonical SMILES: CCN(c1cccc(c1)OC1CCCNC1)CC.Cl
• InChI: InChI=1S/C15H24N2O.ClH/c1-3-17(4-2)13-7-5-8-14(11-13)18-15-9-6-10-16-12-15;/h5,7-8,11,15-16H,3-4,6,9-10,12H2,1-2H3;1H
• InChIKey: DSWPUYBQGXLBGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-3-(piperidin-3-yloxy)aniline hydrochloride
• IUPAC Traditional name: N,N-diethyl-3-(piperidin-3-yloxy)aniline hydrochloride
• Synonyms: N,N-Diethyl-3-(3-piperidinyloxy)aniline hydrochloride

Database IDs

• MDL Number: MFCD13560933
• PubChem SID: 162051809
• PubChem CID: 56830925

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4928524
• LogD (pH = 7.4): 0.6838873
• Log P: 2.7383955
• Molar Refractivity: 76.3826 cm^3
• Polarizability: 29.53141 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false