1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one

C15H22N2O2 — CID 82267459

IUPAC1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCCc1cc(O)ccc1C(=O)C(C)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-3-12-10-13(18)4-5-14(12)15(19)11(2)17-8-6-16-7-9-17/h4-5,10-11,16,18H,3,6-9H2,1-2H3
InChIKeyZUIFYGFBXODNFI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.43
Rot. Bonds4

About 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one

1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 82267459) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID82267459
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCCc1cc(O)ccc1C(=O)C(C)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-3-12-10-13(18)4-5-14(12)15(19)11(2)17-8-6-16-7-9-17/h4-5,10-11,16,18H,3,6-9H2,1-2H3
InChIKeyZUIFYGFBXODNFI-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266426
1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266995
1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266482
1-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
CID 83559257
1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264638
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82265840
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82267292
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264084
(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
CID 82267421

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one (CID 82267459) is 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one is CCc1cc(O)ccc1C(=O)C(C)N1CCNCC1.
What is the InChIKey of 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is ZUIFYGFBXODNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-10-13(18)4-5-14(12)15(19)11(2)17-8-6-16-7-9-17/h4-5,10-11,16,18H,3,6-9H2,1-2H3.
What are the key properties of 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one?
1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82267459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).