1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone

C16H24N2O — CID 113076338

IUPAC1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
SMILESCCc1cccc(CC)c1N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H24N2O/c1-4-14-7-6-8-15(5-2)16(14)18-11-9-17(10-12-18)13(3)19/h6-8H,4-5,9-12H2,1-3H3
InChIKeyXVIWNIANBLNSAC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.48
Rot. Bonds3

About 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone

1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone (PubChem CID 113076338) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
PubChem CID113076338
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
SMILESCCc1cccc(CC)c1N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H24N2O/c1-4-14-7-6-8-15(5-2)16(14)18-11-9-17(10-12-18)13(3)19/h6-8H,4-5,9-12H2,1-3H3
InChIKeyXVIWNIANBLNSAC-UHFFFAOYSA-N
XLogP2.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113112497
1-(2,6-diethylphenyl)piperidine
CID 10608826
1-(2,6-diethylphenyl)piperidin-4-ol
CID 117028325
[1-(2,6-diethylphenyl)piperidin-4-yl]methanol
CID 117027938
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
2-[4-(2,6-diethylphenyl)piperazin-1-yl]acetonitrile
CID 117028294
4-(2-ethyl-6-methylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110716
[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113076018
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone (CID 113076338) is 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone is CCc1cccc(CC)c1N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is XVIWNIANBLNSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-14-7-6-8-15(5-2)16(14)18-11-9-17(10-12-18)13(3)19/h6-8H,4-5,9-12H2,1-3H3.
What are the key properties of 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone?
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113076338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).