2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone

C9H14N2O2 — CID 130608896

IUPAC2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
SMILESC#CCN1CCN(C(=O)CO)CC1
InChIInChI=1S/C9H14N2O2/c1-2-3-10-4-6-11(7-5-10)9(13)8-12/h1,12H,3-8H2
InChIKeySACWZMBJDPKIOQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-1.24
Rot. Bonds2

About 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone

2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone (PubChem CID 130608896) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
PubChem CID130608896
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
SMILESC#CCN1CCN(C(=O)CO)CC1
InChIInChI=1S/C9H14N2O2/c1-2-3-10-4-6-11(7-5-10)9(13)8-12/h1,12H,3-8H2
InChIKeySACWZMBJDPKIOQ-UHFFFAOYSA-N
XLogP-1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 111544194
1-(4-prop-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 60699723
2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 54873746
(2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 82235754
2-hydroxy-1-[4-(sulfanylmethyl)piperazin-1-yl]ethanone
CID 145342591
2-(4-aminophenoxy)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 61114349
2,2,3,3,3-pentafluoro-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 114038095
4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390717
ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 143179538
2-amino-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 60962945
2-methylpropyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 58860505

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone (CID 130608896) is 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone is C#CCN1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The InChIKey is SACWZMBJDPKIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-10-4-6-11(7-5-10)9(13)8-12/h1,12H,3-8H2.
What are the key properties of 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone has a molecular weight of 182.22 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone is sourced from PubChem (CID 130608896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).