4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one

C19H30N2O2 — CID 83940218

IUPAC4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one
SMILESCCOc1cc(C)c(C(C)CCC(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C19H30N2O2/c1-5-23-17-12-15(3)19(16(4)13-17)14(2)6-7-18(22)21-10-8-20-9-11-21/h12-14,20H,5-11H2,1-4H3
InChIKeyLNGNQEYMZKGIBR-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.02
Rot. Bonds6

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

4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one (PubChem CID 83940218) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one
PubChem CID83940218
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one
SMILESCCOc1cc(C)c(C(C)CCC(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C19H30N2O2/c1-5-23-17-12-15(3)19(16(4)13-17)14(2)6-7-18(22)21-10-8-20-9-11-21/h12-14,20H,5-11H2,1-4H3
InChIKeyLNGNQEYMZKGIBR-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83923767
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
1-piperazin-1-yl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
CID 83930095
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83932209
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
4-(4-hydroxyphenyl)-1-piperazin-1-ylpentan-1-one
CID 83930393
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
3-(4-methoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83940086
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
CID 83925488

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one?
The IUPAC name of 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one (CID 83940218) is 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one is CCOc1cc(C)c(C(C)CCC(=O)N2CCNCC2)c(C)c1.
What is the InChIKey of 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one?
The InChIKey is LNGNQEYMZKGIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-23-17-12-15(3)19(16(4)13-17)14(2)6-7-18(22)21-10-8-20-9-11-21/h12-14,20H,5-11H2,1-4H3.
What are the key properties of 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one?
4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one has a molecular weight of 318.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2,6-dimethylphenyl)-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 83940218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).