2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one

C12H17N3O2 — CID 82510529

IUPAC2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one
SMILESCC(O)(C(=O)N1CCNCC1)c1cccnc1
InChIInChI=1S/C12H17N3O2/c1-12(17,10-3-2-4-14-9-10)11(16)15-7-5-13-6-8-15/h2-4,9,13,17H,5-8H2,1H3
InChIKeyOUAFZOVDHXBAJR-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.28
Rot. Bonds2

About 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one

2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one (PubChem CID 82510529) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one
PubChem CID82510529
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one
SMILESCC(O)(C(=O)N1CCNCC1)c1cccnc1
InChIInChI=1S/C12H17N3O2/c1-12(17,10-3-2-4-14-9-10)11(16)15-7-5-13-6-8-15/h2-4,9,13,17H,5-8H2,1H3
InChIKeyOUAFZOVDHXBAJR-UHFFFAOYSA-N
XLogP-0.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
CID 61053881
tert-butyl formate;piperazin-1-yl(pyridin-3-yl)methanone
CID 175327380
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
N,2-dimethyl-2-piperazin-1-yl-N-pyridin-3-ylpropanamide
CID 80550063
2-pyridin-3-ylpropane-2-sulfinic acid
CID 174709525
tripyridin-3-ylmethanol
CID 177395677
2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 38453759
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
N-[(4-tert-butylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
CID 140578074

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one?
The IUPAC name of 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one (CID 82510529) is 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one is CC(O)(C(=O)N1CCNCC1)c1cccnc1.
What is the InChIKey of 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one?
The InChIKey is OUAFZOVDHXBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(17,10-3-2-4-14-9-10)11(16)15-7-5-13-6-8-15/h2-4,9,13,17H,5-8H2,1H3.
What are the key properties of 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one?
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one has a molecular weight of 235.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 82510529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).