2-[(1-methylpiperidin-4-yl)oxy]pyridin-4-amine

• ChemBase ID: 244820
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: c1(cc(N)ccn1)OC1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)Oc1nccc(c1)N
• InChI: InChI=1S/C11H17N3O/c1-14-6-3-10(4-7-14)15-11-8-9(12)2-5-13-11/h2,5,8,10H,3-4,6-7H2,1H3,(H2,12,13)
• InChIKey: QZAFLGODJMSZDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-methylpiperidin-4-yl)oxy]pyridin-4-amine
• IUPAC Traditional name: 2-[(1-methylpiperidin-4-yl)oxy]pyridin-4-amine
• Synonyms: 2-[(1-methylpiperidin-4-yl)oxy]pyridin-4-amine

Database IDs

• MDL Number: MFCD16084477
• PubChem SID: 164300730
• PubChem CID: 61709630

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.260321
• LogD (pH = 7.4): -0.70668006
• Log P: 0.39023983
• Molar Refractivity: 60.8293 cm^3
• Polarizability: 23.091406 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.22

Product Information

• Purity: 95%