[4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone

C11H20N2O2 — CID 143121346

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCN(CCO)CC2)CC1
InChIInChI=1S/C11H20N2O2/c1-11(2-3-11)10(15)13-6-4-12(5-7-13)8-9-14/h14H,2-9H2,1H3
InChIKeyYSGAHVBQKXXUHI-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.08
Rot. Bonds3

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

[4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 143121346) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID143121346
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCN(CCO)CC2)CC1
InChIInChI=1S/C11H20N2O2/c1-11(2-3-11)10(15)13-6-4-12(5-7-13)8-9-14/h14H,2-9H2,1H3
InChIKeyYSGAHVBQKXXUHI-UHFFFAOYSA-N
XLogP-0.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2995934
1-(2-Hydroxyethyl) 4-(1-oxobutyl)-piperazine
CID 15838679
2-Fluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 109927720
1-[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-YL]-2,2-dimethylpropan-1-one hydrochloride
CID 71783035
1-[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 71783036
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-methyl-3-sulfanylbutan-1-one
CID 18187934
1-[4-(2-Hydroxyethyl)piperazin-1-yl]propan-1-one
CID 18715899
1-[4-(2-Hydroxyethyl)piperazin-1-yl]pentan-1-one
CID 20469758
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 20469881
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24284660
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43416226
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 43416230

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone (CID 143121346) is [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCN(CCO)CC2)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is YSGAHVBQKXXUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2-3-11)10(15)13-6-4-12(5-7-13)8-9-14/h14H,2-9H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 212.29 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 143121346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).