dimethyl(piperidin-4-ylmethyl)amine

• ChemBase ID: 15762
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1CCC(CN(C)C)CC1
• Canonical SMILES: CN(CC1CCNCC1)C
• InChI: InChI=1S/C8H18N2/c1-10(2)7-8-3-5-9-6-4-8/h8-9H,3-7H2,1-2H3
• InChIKey: SWQDHDJAIYSTRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(piperidin-4-ylmethyl)amine
• IUPAC Traditional name: dimethyl(piperidin-4-ylmethyl)amine
• Synonyms: N,N-Dimethyl-1-piperidin-4-ylmethanamine; dimethyl(piperidin-4-ylmethyl)amine; N,N-dimethyl-1-(4-piperidinyl)methanamine; N,N-Dimethyl-1-piperidin-4-ylmethylamine; 4-(Dimethylaminomethyl)piperidine

Database IDs

• CAS Number: 138022-00-1
• MDL Number: MFCD05215181
• PubChem SID: 160979069
• PubChem CID: 11137268

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.3934927
• LogD (pH = 7.4): -4.9986296
• 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): 0.249

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%