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

C11H20N2O4 — CID 43427982

IUPAC1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1COCCO1)N1CCN(CCO)CC1
InChIInChI=1S/C11H20N2O4/c14-6-5-12-1-3-13(4-2-12)11(15)10-9-16-7-8-17-10/h10,14H,1-9H2
InChIKeyJWBFEGKXLMYPNI-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.46
Rot. Bonds3

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

1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 43427982) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID43427982
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1COCCO1)N1CCN(CCO)CC1
InChIInChI=1S/C11H20N2O4/c14-6-5-12-1-3-13(4-2-12)11(15)10-9-16-7-8-17-10/h10,14H,1-9H2
InChIKeyJWBFEGKXLMYPNI-UHFFFAOYSA-N
XLogP-1.46
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone 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

[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
CID 113222366
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 74249525
4-[[4-[(2S)-1,4-dioxane-2-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 94166340
4-[[4-[(2R)-1,4-dioxane-2-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 94166341
1,4-dioxan-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 78866185
2-[4-(1,4-dioxane-2-carbonyl)piperazin-1-yl]propanethioamide
CID 63340503
1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119261251
[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone
CID 81211074

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 43427982) is 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(C1COCCO1)N1CCN(CCO)CC1.
What is the InChIKey of 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is JWBFEGKXLMYPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-6-5-12-1-3-13(4-2-12)11(15)10-9-16-7-8-17-10/h10,14H,1-9H2.
What are the key properties of 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 244.29 g/mol, XLogP of -1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43427982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).