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

• ChemBase ID: 277007
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CC2COCC2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC1COCC1
• InChI: InChI=1S/C10H20N2O/c11-10-1-4-12(5-2-10)7-9-3-6-13-8-9/h9-10H,1-8,11H2
• InChIKey: WEBTUQJFKGRYNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11199006
• PubChem SID: 164332917
• PubChem CID: 18001793

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.706426
• LogD (pH = 7.4): -4.7631674
• Log P: -0.57987785
• Molar Refractivity: 53.9636 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.954

Product Information

• Purity: 95%