4-(3-aminopropoxy)-1-(propan-2-yl)piperidine

• ChemBase ID: 306465
• Molecular Formular: C11H24N2O
• Molecular Mass: 200.32106
• Monoisotopic Mass: 200.1888634
• SMILES: N1(CCC(CC1)OCCCN)C(C)C
• Canonical SMILES: NCCCOC1CCN(CC1)C(C)C
• InChI: InChI=1S/C11H24N2O/c1-10(2)13-7-4-11(5-8-13)14-9-3-6-12/h10-11H,3-9,12H2,1-2H3
• InChIKey: ICFUXMCOIBZWKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-aminopropoxy)-1-(propan-2-yl)piperidine
• IUPAC Traditional name: 4-(3-aminopropoxy)-1-isopropylpiperidine
• Synonyms: 3-[(1-isopropylpiperidin-4-yl)oxy]propan-1-amine

Database IDs

• CAS Number: 1171385-26-4
• MDL Number: MFCD12827455

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.2301655
• LogD (pH = 7.4): -4.516076
• Log P: 0.18771447
• Molar Refractivity: 60.4462 cm^3
• Polarizability: 24.013033 Å^3
• Polar Surface Area: 38.49 Å^2