1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone

C16H24N2O2 — CID 82266551

IUPAC1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
SMILESCCOc1cc(C)c(C(=O)CN2CCNCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-4-20-14-9-12(2)16(13(3)10-14)15(19)11-18-7-5-17-6-8-18/h9-10,17H,4-8,11H2,1-3H3
InChIKeyAPCCEYGNNWSFGH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds5

About 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone

1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone (PubChem CID 82266551) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
PubChem CID82266551
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
SMILESCCOc1cc(C)c(C(=O)CN2CCNCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-4-20-14-9-12(2)16(13(3)10-14)15(19)11-18-7-5-17-6-8-18/h9-10,17H,4-8,11H2,1-3H3
InChIKeyAPCCEYGNNWSFGH-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
CID 82053135
1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266630
2-(1,4-diazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 62036993
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
3-(azepan-1-yl)-1-(4-ethoxy-2,6-dimethylphenyl)propan-1-one
CID 82053134
1-(4-ethoxy-2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193304
2-(1,4-diazepan-1-yl)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116565638
2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
CID 170862115
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
CID 82053018
1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone
CID 82263116
4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83940218

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone (CID 82266551) is 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone is CCOc1cc(C)c(C(=O)CN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone?
The InChIKey is APCCEYGNNWSFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-14-9-12(2)16(13(3)10-14)15(19)11-18-7-5-17-6-8-18/h9-10,17H,4-8,11H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone?
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 82266551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).