SYX
(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
Created: | 2023-08-28 |
Last modified: | 2023-11-29 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 1 |
Bond Count | 33 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone |
Systematic Name (OpenEye OEToolkits) | (4-methylpiperazin-1-yl)-[(2~{R})-oxolan-2-yl]methanone |
Formula | C10 H18 N2 O2 |
Molecular Weight | 198.262 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(C)CC1)C1CCCO1 |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)[CH]2CCCO2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C(=O)C2CCCO2 |
Canonical SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)[C@H]2CCCO2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C(=O)[C@H]2CCCO2 |
InChI | InChI | 1.06 | InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1 |
InChIKey | InChI | 1.06 | ZSHARPJAQXGCMB-SECBINFHSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 59965676 |