2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate

C13H19N3O3 — CID 79345467

IUPAC2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
SMILESO=C(OCCO)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H19N3O3/c17-9-10-19-13(18)16-7-5-15(6-8-16)11-12-3-1-2-4-14-12/h1-4,17H,5-11H2
InChIKeyPTGPWPAKAGQNFM-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.33
Rot. Bonds4

About 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate

2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 79345467) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
PubChem CID79345467
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
SMILESO=C(OCCO)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H19N3O3/c17-9-10-19-13(18)16-7-5-15(6-8-16)11-12-3-1-2-4-14-12/h1-4,17H,5-11H2
InChIKeyPTGPWPAKAGQNFM-UHFFFAOYSA-N
XLogP0.33
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756
2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 79346353
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 62473760
N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86816169
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
[(1S,2S)-2-aminocyclopentyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 124510940
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate (CID 79345467) is 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate is O=C(OCCO)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is PTGPWPAKAGQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-9-10-19-13(18)16-7-5-15(6-8-16)11-12-3-1-2-4-14-12/h1-4,17H,5-11H2.
What are the key properties of 2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate?
2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.33, 4 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-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 79345467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).