1-(3-(4-Methylpiperazin-1-YL)prop-1-ynyl)cyclohexyl acetate
Basic information
- CAS
312519-76-9- Standard SMILES
CC(=O)OC1(C#CCN2CCN(C)CC2)CCCCC1- InChIKey
JMOGRRAUCBZNAV-UHFFFAOYSA-N- Molecular formula
- C16H26N2O2
- Average molar mass
- 278.39 g/mol
- Monoisotopic mass
- 278.19942808
Names & identifiers
- Preferred name
- 1-(3-(4-Methylpiperazin-1-YL)prop-1-ynyl)cyclohexyl acetate
- IUPAC
- [1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]cyclohexyl] acetate
- English name
- 1-(3-(4-METHYLPIPERAZIN-1-YL)PROP-1-YNYL)CYCLOHEXYL ACETATE
- Molecular formula
- C16H26N2O2
- Molecular weight
- 278.39
Names & synonyms
312519-76-9ST082798Cyclohexanol,1-[3-(4-methyl-1-piperazinyl)-1-propynyl]-, acetate (ester) (9CI)1-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]cyclohexyl acetate1-(3-(4-METHYLPIPERAZIN-1-YL)PROP-1-YNYL)CYCLOHEXYL ACETATEOprea1_049860DTXSID10351393[1-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]cyclohexyl] acetateSTK675217AKOS003604306SR-01000523818SR-01000523818-1
Show more names
Cyclohexanol, 1-[3-(4-methyl-1-piperazinyl)-1-propynyl]-, acetate (ester) (9CI)
[3-(4-methylpiperazinyl)prop-1-ynyl]cyclohexyl acetate1-[3-(4-methyl-1-piperazinyl)-1-propyn-1-yl]cyclohexyl acetate
Database identifiers
- CAS
312519-76-9- PubChem CID
- 699309
- DTXSID
DTXSID10351393
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
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Related reactions
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Compound notes
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