N-(3-methoxypropyl)-1-methylpiperidin-4-amine

• ChemBase ID: 13508
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: C1C(CCN(C1)C)NCCCOC
• Canonical SMILES: COCCCNC1CCN(CC1)C
• InChI: InChI=1S/C10H22N2O/c1-12-7-4-10(5-8-12)11-6-3-9-13-2/h10-11H,3-9H2,1-2H3
• InChIKey: HZXTVHVKRLJKAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-(3-methoxypropyl)-1-methylpiperidin-4-amine
• Synonyms: (3-Methoxy-propyl)-(1-methyl-piperidin-4-yl)-amine; N-(3-methoxypropyl)-1-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD01653947
• PubChem SID: 160976815
• PubChem CID: 3153472

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.3387823
• LogD (pH = 7.4): -3.4157383
• Log P: -0.15308811
• Molar Refractivity: 56.0534 cm^3
• Polarizability: 22.168617 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