4-amino-1-ethylpiperidine-4-carbonitrile

• ChemBase ID: 240465
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: N#CC1(CCN(CC1)CC)N
• Canonical SMILES: CCN1CCC(CC1)(N)C#N
• InChI: InChI=1S/C8H15N3/c1-2-11-5-3-8(10,7-9)4-6-11/h2-6,10H2,1H3
• InChIKey: OSKHEBDRYLYZPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09739500
• PubChem SID: 164296375
• PubChem CID: 16792694

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4776218
• LogD (pH = 7.4): -1.6499914
• Log P: -0.47776547
• Molar Refractivity: 45.2222 cm^3
• Polarizability: 17.63117 Å^3
• Polar Surface Area: 53.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.895

Product Information

• Purity: 95%