4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one

C15H22N2O3 — CID 18086489

IUPAC4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
SMILESCCc1ccc(OCC(O)CN2CCNC(=O)C2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-12-3-5-14(6-4-12)20-11-13(18)9-17-8-7-16-15(19)10-17/h3-6,13,18H,2,7-11H2,1H3,(H,16,19)
InChIKeyAYBPGPMNGBRYKW-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.42
Rot. Bonds6

About 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one

4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one (PubChem CID 18086489) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
PubChem CID18086489
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
SMILESCCc1ccc(OCC(O)CN2CCNC(=O)C2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-12-3-5-14(6-4-12)20-11-13(18)9-17-8-7-16-15(19)10-17/h3-6,13,18H,2,7-11H2,1H3,(H,16,19)
InChIKeyAYBPGPMNGBRYKW-UHFFFAOYSA-N
XLogP0.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzoate
CID 18125623
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzonitrile
CID 43213542
4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-2-one
CID 45179310
4-[[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methyl]piperazin-2-one
CID 172659890
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169
4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one
CID 78782890
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715
4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 51640549
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 46596157

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one?
The IUPAC name of 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one (CID 18086489) is 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one?
The canonical SMILES for 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one is CCc1ccc(OCC(O)CN2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one?
The InChIKey is AYBPGPMNGBRYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-12-3-5-14(6-4-12)20-11-13(18)9-17-8-7-16-15(19)10-17/h3-6,13,18H,2,7-11H2,1H3,(H,16,19).
What are the key properties of 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one?
4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one has a molecular weight of 278.35 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one is sourced from PubChem (CID 18086489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).