1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone

C13H19N3O2 — CID 83131846

IUPAC1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc([C@H](C)O)nc2)CC1
InChIInChI=1S/C13H19N3O2/c1-10(17)13-4-3-12(9-14-13)16-7-5-15(6-8-16)11(2)18/h3-4,9-10,17H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyOXTQAXHSRWBCDK-JTQLQIEISA-N
MW249.31 g/mol
LogP0.80
Rot. Bonds2

About 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 83131846) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID83131846
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc([C@H](C)O)nc2)CC1
InChIInChI=1S/C13H19N3O2/c1-10(17)13-4-3-12(9-14-13)16-7-5-15(6-8-16)11(2)18/h3-4,9-10,17H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyOXTQAXHSRWBCDK-JTQLQIEISA-N
XLogP0.80
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122852
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122934
1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 137407156
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol
CID 83131766
1-[5-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]ethanol
CID 83131559
(1S)-1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132070
1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132157
1-[6-(1-hydroxyethyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959859

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone (CID 83131846) is 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc([C@H](C)O)nc2)CC1.
What is the InChIKey of 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is OXTQAXHSRWBCDK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(17)13-4-3-12(9-14-13)16-7-5-15(6-8-16)11(2)18/h3-4,9-10,17H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 83131846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).