N,1-dimethylpiperidin-4-amine

• ChemBase ID: 24609
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CCC(CC1)NC)C
• Canonical SMILES: CNC1CCN(CC1)C
• InChI: InChI=1S/C7H16N2/c1-8-7-3-5-9(2)6-4-7/h7-8H,3-6H2,1-2H3
• InChIKey: XRYGCVVVDCEPRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethylpiperidin-4-amine
• IUPAC Traditional name: N,1-dimethylpiperidin-4-amine
• Synonyms: 1-Methyl-4-(methylamino)piperidine; N,1-Dimethylpiperidin-4-amine

Database IDs

• CAS Number: 73579-08-5
• MDL Number: MFCD00006498
• PubChem SID: 160987916
• PubChem CID: 566323

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.4917116
• LogD (pH = 7.4): -3.5043106
• Log P: -0.16607234
• Molar Refractivity: 40.1445 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%