1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate
Basic information
- CAS
101564-60-7- Standard SMILES
C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C- InChIKey
CFZMIFMEOHIJET-UHFFFAOYSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
- Monoisotopic mass
- 279.18344366
Names & identifiers
- Preferred name
- 1-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate
- English name
- (1-methyl-4-piperidyl) 2-hydroxy-5-methyl-2-propan-2-yl-hex-5-en-3-yno ate
- Molecular formula
- C16H25NO3
- Molecular weight
- 0
Names & synonyms
101564-60-7DTXSID409063501-Methylpiperidin-4-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoateRefChem:1055883DTXCID601335448NSC6658651-METHYLPIPERIDIN-4-YL 2-HYDROXY-2-ISOPROPYL-5-METHYLHEX-5-EN-3-YNOATE1-Methyl-4-piperidyl isopropyl(3-methylbut-1-yn-3-enyl)glycolate(1-methyl-4-piperidyl)-2-hydroxy-5-methyl-2-propan-2-yl-hex-5-en-3-ynoate3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 1-methyl-4-piperidyl esterCHEMBL19735901-Methyl-4-piperidinyl 2-hydroxy-2-isopropyl-5-methyl-5-hexen-3-ynoate
Show more names
(1-methyl-4-piperidyl) 2-hydroxy-5-methyl-2-propan-2-yl-hex-5-en-3-yno ate
NSC-665865NCI60_022805(1-methyl-4-piperidyl) 2-hydroxy-2-isopropyl-5-methyl-hex-5-en-3-ynoate5-Hexen-3-ynoic acid, 2-hydroxy-5-methyl-2-(1-methylethyl)-, 1-methyl-4-piperidinyl ester
Database identifiers
- CAS
101564-60-7- PubChem CID
- 58516
- DTXSID
DTXSID40906350- ChEMBL
CHEMBL1973590- Nikkaji
- J77.687D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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