2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone

C13H19N3O2 — CID 39256203

IUPAC2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)c1ccc(O)cc1
InChIInChI=1S/C13H19N3O2/c1-15(11-2-4-12(17)5-3-11)10-13(18)16-8-6-14-7-9-16/h2-5,14,17H,6-10H2,1H3
InChIKeySMDHQYCALPGHNQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.26
Rot. Bonds3

About 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone

2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone (PubChem CID 39256203) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
PubChem CID39256203
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)c1ccc(O)cc1
InChIInChI=1S/C13H19N3O2/c1-15(11-2-4-12(17)5-3-11)10-13(18)16-8-6-14-7-9-16/h2-5,14,17H,6-10H2,1H3
InChIKeySMDHQYCALPGHNQ-UHFFFAOYSA-N
XLogP0.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-(N,3-dimethyl-4-nitroanilino)-1-piperazin-1-ylethanone
CID 61018161
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39284519
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55025728
1-(4-hydroxy-N-methylanilino)propan-2-one
CID 12814770
3-methyl-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
CID 61018701
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
4-(4-hydroxyphenyl)-1-piperazin-1-ylpentan-1-one
CID 83930393
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657443

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone (CID 39256203) is 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone?
The InChIKey is SMDHQYCALPGHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(11-2-4-12(17)5-3-11)10-13(18)16-8-6-14-7-9-16/h2-5,14,17H,6-10H2,1H3.
What are the key properties of 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone?
2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone has a molecular weight of 249.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone is sourced from PubChem (CID 39256203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).