1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone

C13H19N3O2 — CID 82216623

IUPAC1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)c2ccccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-11(17)16-8-6-15(7-9-16)10-13(18)12-4-2-3-5-14-12/h2-5,13,18H,6-10H2,1H3
InChIKeyAHDGTDVACYRBQM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.28
Rot. Bonds3

About 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone

1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone (PubChem CID 82216623) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
PubChem CID82216623
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)c2ccccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-11(17)16-8-6-15(7-9-16)10-13(18)12-4-2-3-5-14-12/h2-5,13,18H,6-10H2,1H3
InChIKeyAHDGTDVACYRBQM-UHFFFAOYSA-N
XLogP0.28
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate
CID 82045302
2-(4-methylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82040271
2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
CID 20980348
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
1-[4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 62266489
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
CID 43223671
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 111476069
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95319016
2-(2,6-dimethylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82216604
2-chloro-1-pyridin-2-ylethanol
CID 22145518
1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 95285863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone (CID 82216623) is 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(O)c2ccccn2)CC1.
What is the InChIKey of 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is AHDGTDVACYRBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-11(17)16-8-6-15(7-9-16)10-13(18)12-4-2-3-5-14-12/h2-5,13,18H,6-10H2,1H3.
What are the key properties of 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone?
1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82216623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).