dimethyl[2-(piperidin-2-yl)ethyl]amine

• ChemBase ID: 18617
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1C(CCN(C)C)CCCC1
• Canonical SMILES: CN(CCC1CCCCN1)C
• InChI: InChI=1S/C9H20N2/c1-11(2)8-6-9-5-3-4-7-10-9/h9-10H,3-8H2,1-2H3
• InChIKey: VQWPLEFSACXKNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(piperidin-2-yl)ethyl]amine
• IUPAC Traditional name: dimethyl[2-(piperidin-2-yl)ethyl]amine
• Synonyms: N,N-dimethyl-2-(piperidin-2-yl)ethanamine; dimethyl[2-(piperidin-2-yl)ethyl]amine; Dimethyl-(2-piperidin-2-yl-ethyl)-amine; N,N-dimethyl-2-piperidin-2-ylethanamine

Database IDs

• CAS Number: 60717-49-9
• MDL Number: MFCD00047329
• PubChem SID: 160981924
• PubChem CID: 296295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9037347
• LogD (pH = 7.4): -2.7986066
• Log P: 0.795859
• Molar Refractivity: 49.3901 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.399

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%