1-(prop-2-yn-1-yl)piperidine

• ChemBase ID: 271477
• Molecular Formular: C8H13N
• Molecular Mass: 123.19552
• Monoisotopic Mass: 123.10479942
• SMILES: C(#C)CN1CCCCC1
• Canonical SMILES: C#CCN1CCCCC1
• InChI: InChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h1H,3-8H2
• InChIKey: LQSQLFOKTMSBEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-yn-1-yl)piperidine
• IUPAC Traditional name: 1-(prop-2-yn-1-yl)piperidine
• Synonyms: 1-(prop-2-yn-1-yl)piperidine

Database IDs

• MDL Number: MFCD00510920
• PubChem SID: 164327387
• PubChem CID: 336652

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.8774374
• LogD (pH = 7.4): -0.23916566
• Log P: 1.2686187
• Molar Refractivity: 39.7103 cm^3
• Polarizability: 15.185205 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.981

Product Information

• Purity: 95%