dimethyl[2-(piperidin-3-yl)ethyl]amine

• ChemBase ID: 50378
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1CC(CCN(C)C)CCC1
• Canonical SMILES: CN(CCC1CCCNC1)C
• InChI: InChI=1S/C9H20N2/c1-11(2)7-5-9-4-3-6-10-8-9/h9-10H,3-8H2,1-2H3
• InChIKey: YSWZWFUGBKCCCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(piperidin-3-yl)ethyl]amine
• IUPAC Traditional name: dimethyl[2-(piperidin-3-yl)ethyl]amine
• Synonyms: N,N-Dimethyl-2-(3-piperidinyl)-1-ethanamine; N,N-dimethyl-2-(3-piperidinyl)ethanamine

Database IDs

• CAS Number: 933684-70-9
• MDL Number: MFCD12827530
• PubChem SID: 162055141
• PubChem CID: 21186415

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.9230747
• LogD (pH = 7.4): -4.4289093
• Log P: 0.73909706
• Molar Refractivity: 49.5635 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false