1-(3-ethoxypropyl)-3-methylpiperidin-4-amine

• ChemBase ID: 275515
• Molecular Formular: C11H24N2O
• Molecular Mass: 200.32106
• Monoisotopic Mass: 200.1888634
• SMILES: N1(CC(C(CC1)N)C)CCCOCC
• Canonical SMILES: CCOCCCN1CCC(C(C1)C)N
• InChI: InChI=1S/C11H24N2O/c1-3-14-8-4-6-13-7-5-11(12)10(2)9-13/h10-11H,3-9,12H2,1-2H3
• InChIKey: AMSJCLFYWQBSTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-ethoxypropyl)-3-methylpiperidin-4-amine
• IUPAC Traditional name: 1-(3-ethoxypropyl)-3-methylpiperidin-4-amine
• Synonyms: 1-(3-ethoxypropyl)-3-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD14692817
• PubChem SID: 164331425
• PubChem CID: 54593711

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.730482
• LogD (pH = 7.4): -3.7260408
• Log P: 0.250463
• Molar Refractivity: 60.4438 cm^3
• Polarizability: 24.013033 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.692

Product Information

• Purity: 95%