1-Methylpiperidin-4-yl 2-cyclobutyl-2-hydroxypent-3-ynoate
Basic information
- CAS
101030-74-4- Standard SMILES
CC#CC(O)(C(=O)OC1CCN(C)CC1)C1CCC1- InChIKey
PZDXBHWCDGXMDK-UHFFFAOYSA-N- Molecular formula
- C15H23NO3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.1677936
Names & identifiers
- Preferred name
- 1-Methylpiperidin-4-yl 2-cyclobutyl-2-hydroxypent-3-ynoate
- IUPAC
- (1-methylpiperidin-4-yl) 2-cyclobutyl-2-hydroxypent-3-ynoate
- English name
- 1-Methyl-4-piperidyl cyclobutyl(1-propynyl)glycolate
- Molecular formula
- C15H23NO3
- Molecular weight
- 265.35
Names & synonyms
101030-74-41-methylpiperidin-4-yl 2-cyclobutyl-2-hydroxypent-3-ynoateDTXSID60905906RefChem:1055876DTXCID5013350071-Methyl-4-piperidyl cyclobutyl(1-propynyl)glycolate(1-methylpiperidin-4-yl) 2-cyclobutyl-2-hydroxypent-3-ynoate3-Pentynoic acid, 2-cyclobutyl-2-hydroxy-, 1-methyl-4-piperidyl esterCYCLOBUTANEGLYCOLIC ACID, alpha-(1-PROPYNYL)-, 1-METHYL-4-PIPERIDYL ESTERCyclobutaneacetic acid, alpha-hydroxy-alpha-1-propyn-1-yl-, 1-methyl-4-piperidinyl esterCyclobutaneacetic acid, α-hydroxy-α-1-propyn-1-yl-, 1-methyl-4-piperidinyl ester
Database identifiers
- CAS
101030-74-4- PubChem CID
- 58158
- DTXSID
DTXSID60905906- Nikkaji
- J67.772H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 396.6 · 396.6±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.29(Predicted)
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Compound notes
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