4-amino-1-methylpiperidine-4-carbonitrile

• ChemBase ID: 255471
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: N#CC1(CCN(CC1)C)N
• Canonical SMILES: CN1CCC(CC1)(N)C#N
• InChI: InChI=1S/C7H13N3/c1-10-4-2-7(9,6-8)3-5-10/h2-5,9H2,1H3
• InChIKey: HUTRESLXFRPBOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-methylpiperidine-4-carbonitrile
• IUPAC Traditional name: 4-amino-1-methylpiperidine-4-carbonitrile
• Synonyms: 4-amino-1-methylpiperidine-4-carbonitrile

Database IDs

• MDL Number: MFCD09739421
• PubChem SID: 164311381
• PubChem CID: 11434991

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6206036
• LogD (pH = 7.4): -1.7640909
• Log P: -0.8345734
• Molar Refractivity: 40.4736 cm^3
• Polarizability: 15.7885475 Å^3
• Polar Surface Area: 53.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.424

Product Information

• Purity: 95%