(2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one

C13H26N2O3 — CID 95341089

IUPAC(2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCCO[C@@H](C)C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C13H26N2O3/c1-5-18-11(2)12(16)15-8-6-14(7-9-15)10-13(3,4)17/h11,17H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyMEMXGWSPIQJBMK-NSHDSACASA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds5

About (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one

(2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 95341089) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
PubChem CID95341089
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCCO[C@@H](C)C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C13H26N2O3/c1-5-18-11(2)12(16)15-8-6-14(7-9-15)10-13(3,4)17/h11,17H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyMEMXGWSPIQJBMK-NSHDSACASA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis(isopropoxyacetyl)piperazine
CID 205041
1-(4-Acetylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887347
2-Cyclohexyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 53603476
2-(Cyclopropylmethoxy)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 53614959
1-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53620236
2-Cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 56781894
(2S)-2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 92860491
1-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 56781880
Tert-butyl 3-[4-(2-methoxyacetyl)piperazin-1-yl]propanoate
CID 72153716
(2S)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95325670
4-(2-Ethoxy-2-methylpropanoyl)-1-propylpiperazin-2-one
CID 129608651
1-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 164629963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one (CID 95341089) is (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one is CCO[C@@H](C)C(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is MEMXGWSPIQJBMK-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-18-11(2)12(16)15-8-6-14(7-9-15)10-13(3,4)17/h11,17H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
(2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 95341089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).