1-decylpiperazine

• ChemBase ID: 91283
• Molecular Formular: C14H30N2
• Molecular Mass: 226.4014
• Monoisotopic Mass: 226.24089897
• SMILES: N1(CCNCC1)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCN1CCNCC1
• InChI: InChI=1S/C14H30N2/c1-2-3-4-5-6-7-8-9-12-16-13-10-15-11-14-16/h15H,2-14H2,1H3
• InChIKey: UUWUIWUPMVSNGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-decylpiperazine
• IUPAC Traditional name: 1-decylpiperazine
• Synonyms: 1-(n-Decyl)piperazine 97%

Database IDs

• CAS Number: 63207-03-4
• MDL Number: MFCD01320898
• PubChem SID: 162077987
• PubChem CID: 230544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.17638512
• LogD (pH = 7.4): 1.5088595
• Log P: 3.6455522
• Molar Refractivity: 72.2231 cm^3
• Polarizability: 28.891401 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 96-98°C

Safety Information

• Storage Warning: Irritant