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

C9H16N2O2 — CID 43501399

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H16N2O2/c1-2-9(13)11-5-3-10(4-6-11)7-8-12/h2,12H,1,3-8H2
InChIKeyLWMOUSFFZLNTRG-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.69
Rot. Bonds3

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

1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 43501399) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID43501399
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H16N2O2/c1-2-9(13)11-5-3-10(4-6-11)7-8-12/h2,12H,1,3-8H2
InChIKeyLWMOUSFFZLNTRG-UHFFFAOYSA-N
XLogP-0.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(hydroxymethyl)-N-[2-[hydroxymethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 20291961
1-[2-[Bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione
CID 23510749
Bis(2-hydroxyethyl)-methyl-prop-2-enoylazanium
CID 58113088
1-[4-[2-(2-Hydroxyethoxy)ethyl]piperazin-1-yl]prop-2-en-1-one
CID 67535062
N-methyl-N-hydroxyethyl Acrylamide N,N-dimethyl Acrylamide
CID 86586140
Acetyl-[2-[acetyl(methyl)amino]ethyl]-(2-hydroxyethyl)-prop-2-enoylazanium
CID 87832244
N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 87839337
1-[4-(2-Methoxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 117730640
1-[4-(2-Ethoxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 117730657
N-[2-[2-hydroxyethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118100396
1-(3-Hydroxy-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 135165332
1-[3-(Hydroxymethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 135165338

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one (CID 43501399) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is LWMOUSFFZLNTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-9(13)11-5-3-10(4-6-11)7-8-12/h2,12H,1,3-8H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 184.24 g/mol, XLogP of -0.69, 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]prop-2-en-1-one is sourced from PubChem (CID 43501399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).