N,N-diethylpiperidin-4-amine

• ChemBase ID: 30876
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1CCC(N(CC)CC)CC1
• Canonical SMILES: CCN(C1CCNCC1)CC
• InChI: InChI=1S/C9H20N2/c1-3-11(4-2)9-5-7-10-8-6-9/h9-10H,3-8H2,1-2H3
• InChIKey: OUXRMEUJNPVXMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpiperidin-4-amine
• IUPAC Traditional name: N,N-diethylpiperidin-4-amine
• Synonyms: Diethyl-piperidin-4-yl-amine; N,N-Diethylpiperidin-4-amine; 4-(Diethylamino)piperidine; N,N-diethylpiperidin-4-amine

Database IDs

• CAS Number: 143300-64-5
• MDL Number: MFCD04971982
• PubChem SID: 160994183
• PubChem CID: 2758239

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.317313
• LogD (pH = 7.4): -3.2592852
• Log P: 0.5475436
• Molar Refractivity: 49.6417 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 108°C/6mm
• Hydrophobicity(logP): 0.688

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%