1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

C9H18N2O2 — CID 18715899

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O2/c1-2-9(13)11-5-3-10(4-6-11)7-8-12/h12H,2-8H2,1H3
InChIKeyMJKFRVGFDNBKOR-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds3

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 18715899) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
PubChem CID18715899
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O2/c1-2-9(13)11-5-3-10(4-6-11)7-8-12/h12H,2-8H2,1H3
InChIKeyMJKFRVGFDNBKOR-UHFFFAOYSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 6480488
1-Acetyl-4-(2-hydroxyethyl)piperazine
CID 4739629
4-Chloro-1-(2-hydroxyethyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 54582542
2-Hydroxy-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 15068965
3-Hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 19867648
4-(2-Hydroxyethyl)-beta-oxo-1-piperazinepropanenitrile
CID 43592136
3-Ethoxy-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 53621102
1-[4-(2-Hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 56802477
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 71941849
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2995934
1-[4-(2-Methoxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 52360841
3-(dimethylamino)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 81682846

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (CID 18715899) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is MJKFRVGFDNBKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-9(13)11-5-3-10(4-6-11)7-8-12/h12H,2-8H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.47, 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]propan-1-one is sourced from PubChem (CID 18715899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).