dimethyl(piperidin-3-ylmethyl)amine

• ChemBase ID: 15763
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1C(CNCC1)CN(C)C
• Canonical SMILES: CN(CC1CCCNC1)C
• InChI: InChI=1S/C8H18N2/c1-10(2)7-8-4-3-5-9-6-8/h8-9H,3-7H2,1-2H3
• InChIKey: QOVQVKFKBHWTAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(piperidin-3-ylmethyl)amine
• IUPAC Traditional name: dimethyl(piperidin-3-ylmethyl)amine
• Synonyms: N,N-Dimethyl-1-piperidin-3-ylmethanamine; N,N-dimethyl-1-(3-piperidinyl)methanamine; N,N-dimethyl-N-(piperidin-3-ylmethyl)amine

Database IDs

• CAS Number: 90203-05-7
• MDL Number: MFCD05215128
• PubChem SID: 160979070
• PubChem CID: 16768076

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.551058
• LogD (pH = 7.4): -3.4077182
• Log P: 0.33608514
• Molar Refractivity: 44.8637 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
• TSCA Listed: false

Product Information

• Purity: 95%