1-(but-3-yn-1-yl)piperidine

• ChemBase ID: 247166
• Molecular Formular: C9H15N
• Molecular Mass: 137.2221
• Monoisotopic Mass: 137.12044949
• SMILES: C(#C)CCN1CCCCC1
• Canonical SMILES: C#CCCN1CCCCC1
• InChI: InChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h1H,3-9H2
• InChIKey: QUZHDOSFNAEDGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(but-3-yn-1-yl)piperidine
• IUPAC Traditional name: 1-(but-3-yn-1-yl)piperidine
• Synonyms: 1-(but-3-yn-1-yl)piperidine

Database IDs

• MDL Number: MFCD18841055
• PubChem SID: 164303076
• PubChem CID: 13155986

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.8666258
• LogD (pH = 7.4): -0.7281851
• Log P: 1.5572798
• Molar Refractivity: 44.4653 cm^3
• Polarizability: 17.031796 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.96

Product Information

• Purity: 95%