{[1-(2-methoxyethyl)piperidin-4-yl]methyl}(pyridin-4-ylmethyl)amine

• ChemBase ID: 15832
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: C1(CCN(CC1)CCOC)CNCc1ccncc1
• Canonical SMILES: COCCN1CCC(CC1)CNCc1ccncc1
• InChI: InChI=1S/C15H25N3O/c1-19-11-10-18-8-4-15(5-9-18)13-17-12-14-2-6-16-7-3-14/h2-3,6-7,15,17H,4-5,8-13H2,1H3
• InChIKey: NNWYSXBEWWCPDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(pyridin-4-ylmethyl)amine
• Synonyms: {[1-(2-Methoxyethyl)piperidin-4-yl]methyl}-(pyridin-4-ylmethyl)amine

Database IDs

• MDL Number: MFCD06800923
• PubChem SID: 160979139
• PubChem CID: 26188692

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.7379966
• LogD (pH = 7.4): -3.3689442
• Log P: 0.7543536
• Molar Refractivity: 78.4617 cm^3
• Polarizability: 30.866392 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false