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

• ChemBase ID: 37847
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: C1NCCC(C1)N(CCCOC)C
• Canonical SMILES: COCCCN(C1CCNCC1)C
• InChI: InChI=1S/C10H22N2O/c1-12(8-3-9-13-2)10-4-6-11-7-5-10/h10-11H,3-9H2,1-2H3
• InChIKey: IMJQAFDJHRCDGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-N-methylpiperidin-4-amine
• IUPAC Traditional name: N-(3-methoxypropyl)-N-methylpiperidin-4-amine
• Synonyms: N-(3-Methoxypropyl)-N-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD12028362
• PubChem SID: 161001154
• PubChem CID: 25220735

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.9248495
• LogD (pH = 7.4): -3.7848024
• 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