1,3-dimethylpiperidin-4-amine

• ChemBase ID: 266378
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(C(CC1)N)C)C
• Canonical SMILES: CN1CCC(C(C1)C)N
• InChI: InChI=1S/C7H16N2/c1-6-5-9(2)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3
• InChIKey: WLFDKDVGHUCVFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 30648-81-8
• MDL Number: MFCD09035302
• PubChem SID: 164322288
• PubChem CID: 23008883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.0395904
• LogD (pH = 7.4): -4.0152698
• Log P: -0.11932918
• Molar Refractivity: 39.7863 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.257

Product Information

• Purity: 95%; 96%