N,1,3-trimethylpiperidin-4-amine

• ChemBase ID: 278754
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CC(C(CC1)NC)C)C
• Canonical SMILES: CNC1CCN(CC1C)C
• InChI: InChI=1S/C8H18N2/c1-7-6-10(3)5-4-8(7)9-2/h7-9H,4-6H2,1-3H3
• InChIKey: RKKFHLLWOCTYCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3-trimethylpiperidin-4-amine
• IUPAC Traditional name: N,1,3-trimethylpiperidin-4-amine
• Synonyms: N,1,3-trimethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD14692590
• PubChem SID: 164334664
• PubChem CID: 45087949

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2737913
• LogD (pH = 7.4): -3.2842398
• Log P: 0.31325123
• Molar Refractivity: 44.5609 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.111

Product Information

• Purity: 95%