6-[(1-methylpiperidin-4-yl)oxy]pyridin-3-amine

• ChemBase ID: 243096
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: n1c(OC2CCN(CC2)C)ccc(c1)N
• Canonical SMILES: CN1CCC(CC1)Oc1ccc(cn1)N
• InChI: InChI=1S/C11H17N3O/c1-14-6-4-10(5-7-14)15-11-3-2-9(12)8-13-11/h2-3,8,10H,4-7,12H2,1H3
• InChIKey: IENQWQBCLJIVIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(1-methylpiperidin-4-yl)oxy]pyridin-3-amine
• IUPAC Traditional name: 6-[(1-methylpiperidin-4-yl)oxy]pyridin-3-amine
• Synonyms: 6-[(1-methylpiperidin-4-yl)oxy]pyridin-3-amine

Database IDs

• MDL Number: MFCD11597308
• PubChem SID: 164299006
• PubChem CID: 28317605

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4532208
• LogD (pH = 7.4): -0.6941905
• Log P: 0.39023983
• Molar Refractivity: 60.8293 cm^3
• Polarizability: 23.095028 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%