4-(prop-2-yn-1-yloxy)piperidine

• ChemBase ID: 272932
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: C(#C)COC1CCNCC1
• Canonical SMILES: C#CCOC1CCNCC1
• InChI: InChI=1S/C8H13NO/c1-2-7-10-8-3-5-9-6-4-8/h1,8-9H,3-7H2
• InChIKey: LYWWBTTXRARIPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-yn-1-yloxy)piperidine
• IUPAC Traditional name: 4-(prop-2-yn-1-yloxy)piperidine
• Synonyms: 4-(prop-2-yn-1-yloxy)piperidine

Database IDs

• MDL Number: MFCD08688526
• PubChem SID: 164328842
• PubChem CID: 26191649

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.223541
• LogD (pH = 7.4): -2.5350842
• Log P: -0.0036093292
• Molar Refractivity: 40.7491 cm^3
• Polarizability: 15.856076 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.024

Product Information

• Purity: 95%