2-(4-methoxypiperidin-1-yl)cyclohexan-1-amine

• ChemBase ID: 262841
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: N1(C2C(N)CCCC2)CCC(CC1)OC
• Canonical SMILES: COC1CCN(CC1)C1CCCCC1N
• InChI: InChI=1S/C12H24N2O/c1-15-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h10-12H,2-9,13H2,1H3
• InChIKey: MUSCNOITVGNPJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxypiperidin-1-yl)cyclohexan-1-amine
• IUPAC Traditional name: 2-(4-methoxypiperidin-1-yl)cyclohexan-1-amine
• Synonyms: 2-(4-methoxypiperidin-1-yl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD12167184
• PubChem SID: 164318751
• PubChem CID: 43372814

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4575896
• LogD (pH = 7.4): -2.2121444
• Log P: 0.7688407
• Molar Refractivity: 62.4968 cm^3
• Polarizability: 25.1236 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 0.693

Product Information

• Purity: 95%