2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate

C12H17N3O3 — CID 79346353

IUPAC2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
SMILESO=C(OCCO)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H17N3O3/c16-9-10-18-12(17)15-7-5-14(6-8-15)11-3-1-2-4-13-11/h1-4,16H,5-10H2
InChIKeyNHZYWMCDEXLWEA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.33
Rot. Bonds3

About 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate

2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate (PubChem CID 79346353) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
PubChem CID79346353
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
SMILESO=C(OCCO)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H17N3O3/c16-9-10-18-12(17)15-7-5-14(6-8-15)11-3-1-2-4-13-11/h1-4,16H,5-10H2
InChIKeyNHZYWMCDEXLWEA-UHFFFAOYSA-N
XLogP0.33
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 79345467
2-hydroxyethyl 4-(5-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 79342229
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108510007
N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate (CID 79346353) is 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate is O=C(OCCO)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The InChIKey is NHZYWMCDEXLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-9-10-18-12(17)15-7-5-14(6-8-15)11-3-1-2-4-13-11/h1-4,16H,5-10H2.
What are the key properties of 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate?
2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 79346353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).