3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 275343
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(CC(C(CC1)N)C)CC1OCCC1
• Canonical SMILES: NC1CCN(CC1C)CC1CCCO1
• InChI: InChI=1S/C11H22N2O/c1-9-7-13(5-4-11(9)12)8-10-3-2-6-14-10/h9-11H,2-8,12H2,1H3
• InChIKey: YPBOFUPYTPWEQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-amine
• Synonyms: 3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD14692555
• PubChem SID: 164331253
• PubChem CID: 54593642

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.4776006
• LogD (pH = 7.4): -3.4251332
• Log P: 0.29925984
• Molar Refractivity: 58.041 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.183

Product Information

• Purity: 95%