2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one

C15H22N2O3 — CID 107708897

IUPAC2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one
SMILESCC(Oc1ccc(CCO)cc1)C(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O3/c1-12(15(19)17-9-7-16-8-10-17)20-14-4-2-13(3-5-14)6-11-18/h2-5,12,16,18H,6-11H2,1H3
InChIKeyLKRYWNKJCPDTNI-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.42
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one

2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one (PubChem CID 107708897) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one
PubChem CID107708897
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one
SMILESCC(Oc1ccc(CCO)cc1)C(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O3/c1-12(15(19)17-9-7-16-8-10-17)20-14-4-2-13(3-5-14)6-11-18/h2-5,12,16,18H,6-11H2,1H3
InChIKeyLKRYWNKJCPDTNI-UHFFFAOYSA-N
XLogP0.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

2-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24695297
2-(4-bromophenoxy)-1-(1,4-diazepan-1-yl)propan-1-one
CID 119418410
2-[4-(3-hydroxybutyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504093
1-(1,4-diazepan-1-yl)-2-phenoxypropan-1-one;hydrochloride
CID 119418324
2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 63879337
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83932209
2-(3-bromo-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 83235034
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
CID 78767059
methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 107708333

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one (CID 107708897) is 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one is CC(Oc1ccc(CCO)cc1)C(=O)N1CCNCC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one?
The InChIKey is LKRYWNKJCPDTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(15(19)17-9-7-16-8-10-17)20-14-4-2-13(3-5-14)6-11-18/h2-5,12,16,18H,6-11H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one?
2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one has a molecular weight of 278.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 107708897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).