1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone

C13H19N3O2 — CID 43501406

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H19N3O2/c17-10-9-15-5-7-16(8-6-15)13(18)11-12-1-3-14-4-2-12/h1-4,17H,5-11H2
InChIKeyLGDABDPZFIDGGH-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.24
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 43501406) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
PubChem CID43501406
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H19N3O2/c17-10-9-15-5-7-16(8-6-15)13(18)11-12-1-3-14-4-2-12/h1-4,17H,5-11H2
InChIKeyLGDABDPZFIDGGH-UHFFFAOYSA-N
XLogP-0.24
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-pyridin-4-ylethanone
CID 63308156
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone
CID 68937211
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 43390899
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-(4-sulfanylphenyl)ethanone
CID 107226666
1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-2-pyridin-4-ylethanone
CID 91765635
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
4-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzonitrile
CID 107223052
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
2-(3-bromo-4-fluorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 71939675
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone (CID 43501406) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is LGDABDPZFIDGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-10-9-15-5-7-16(8-6-15)13(18)11-12-1-3-14-4-2-12/h1-4,17H,5-11H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 249.31 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 43501406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).