N-methyl-N-(oxolan-2-yl)piperidin-4-amine

• ChemBase ID: 37846
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C1NCCC(C1)N(C)C1CCCO1
• Canonical SMILES: CN(C1CCCO1)C1CCNCC1
• InChI: InChI=1S/C10H20N2O/c1-12(10-3-2-8-13-10)9-4-6-11-7-5-9/h9-11H,2-8H2,1H3
• InChIKey: SHFGSEDSIQKGKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxolan-2-yl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-N-(oxolan-2-yl)piperidin-4-amine
• Synonyms: N-Methyl-N-(tetrahydrofuran-2-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12028361
• PubChem SID: 161001153
• PubChem CID: 25220734

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.940411
• LogD (pH = 7.4): -2.4497266
• Log P: 0.28992623
• Molar Refractivity: 53.577 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false