methyl[(1-methylpiperidin-4-yl)methyl]amine

• ChemBase ID: 15752
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1C(CCN(C1)C)CNC
• Canonical SMILES: CNCC1CCN(CC1)C
• InChI: InChI=1S/C8H18N2/c1-9-7-8-3-5-10(2)6-4-8/h8-9H,3-7H2,1-2H3
• InChIKey: WGDFDUYIZTVXJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methylpiperidin-4-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylpiperidin-4-yl)methyl]amine
• Synonyms: N-Methyl-1-(1-methylpiperidin-4-yl)methanamine; methyl[(1-methylpiperidin-4-yl)methyl]amine; METHYL-(1-METHYL-PIPERIDIN-4-YLMETHYL)-AMINE

Database IDs

• CAS Number: 405928-19-0
• MDL Number: MFCD06738983
• PubChem SID: 160979059
• PubChem CID: 16640587

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.285571
• LogD (pH = 7.4): -4.6084766
• Log P: 0.2945284
• Molar Refractivity: 44.9625 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.011

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%