N-methyl-1-(oxan-4-yl)piperidin-4-amine

• ChemBase ID: 266220
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(CCC(CC1)NC)C1CCOCC1
• Canonical SMILES: CNC1CCN(CC1)C1CCOCC1
• InChI: InChI=1S/C11H22N2O/c1-12-10-2-6-13(7-3-10)11-4-8-14-9-5-11/h10-12H,2-9H2,1H3
• InChIKey: HKVNOHYPJPWWRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(oxan-4-yl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-1-(oxan-4-yl)piperidin-4-amine
• Synonyms: N-methyl-1-(oxan-4-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12088765
• PubChem SID: 164322130
• PubChem CID: 43610260

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.121483
• LogD (pH = 7.4): -4.07022
• Log P: -0.20488624
• Molar Refractivity: 58.62 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C
• Hydrophobicity(logP): -1.088

Product Information

• Purity: 95%