1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C8H16N2O2 — CID 4739629

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C8H16N2O2/c1-8(12)10-4-2-9(3-5-10)6-7-11/h11H,2-7H2,1H3
InChIKeyMRGOMLFEVPNISR-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.86
Rot. Bonds2

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

1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 4739629) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID4739629
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C8H16N2O2/c1-8(12)10-4-2-9(3-5-10)6-7-11/h11H,2-7H2,1H3
InChIKeyMRGOMLFEVPNISR-UHFFFAOYSA-N
XLogP-0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
1-[4-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 63308410
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 43416228
2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
CID 79810112
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60841644
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 106111291

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 4739629) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is MRGOMLFEVPNISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(12)10-4-2-9(3-5-10)6-7-11/h11H,2-7H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 172.23 g/mol, XLogP of -0.86, 2 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]ethanone is sourced from PubChem (CID 4739629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).