4-(3-aminopropoxy)-1-ethylpiperidine

• ChemBase ID: 306464
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(CCC(CC1)OCCCN)CC
• Canonical SMILES: NCCCOC1CCN(CC1)CC
• InChI: InChI=1S/C10H22N2O/c1-2-12-7-4-10(5-8-12)13-9-3-6-11/h10H,2-9,11H2,1H3
• InChIKey: KIGCFAHOENIXCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-aminopropoxy)-1-ethylpiperidine
• IUPAC Traditional name: 4-(3-aminopropoxy)-1-ethylpiperidine
• Synonyms: 3-[(1-ethylpiperidin-4-yl)oxy]propan-1-amine

Database IDs

• CAS Number: 1171598-96-1
• MDL Number: MFCD12827454

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.567157
• LogD (pH = 7.4): -4.6592937
• Log P: -0.22886056
• Molar Refractivity: 56.0274 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 38.49 Å^2