1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

C12H24N2O2 — CID 43416226

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10-11(16)14-6-4-13(5-7-14)8-9-15/h15H,4-10H2,1-3H3
InChIKeyDYPRHWDTTJOOOO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.56
Rot. Bonds3

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 43416226) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID43416226
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)10-11(16)14-6-4-13(5-7-14)8-9-15/h15H,4-10H2,1-3H3
InChIKeyDYPRHWDTTJOOOO-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-Ethoxy-2-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 53600644
1-[4-(3-Ethoxy-2-hydroxypropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 56803164
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2995934
1-(2-Hydroxyethyl) 4-(1-oxobutyl)-piperazine
CID 15838679
3,3-Dimethyl-1-(4-propanoylpiperazin-1-yl)butan-1-one
CID 51077374
3-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 53617893
1-[4-(2-Hydroxyethyl)piperazin-1-yl]butane-1,3-dione
CID 43579636
3,3,3-Trifluoro-1-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]propan-1-one
CID 53609752
3,3,3-trifluoro-1-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]propan-1-one
CID 95332916
3,3,3-trifluoro-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]propan-1-one
CID 95332917
2-Fluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 109927720
1-(4-Fluoropiperazin-1-yl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 142001922

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 43416226) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is DYPRHWDTTJOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)10-11(16)14-6-4-13(5-7-14)8-9-15/h15H,4-10H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 43416226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).