1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone

C19H30N2O2 — CID 93193762

IUPAC1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCCOc1cc(C)c(C)cc1C(=O)CN1CCN(CC)CC1
InChIInChI=1S/C19H30N2O2/c1-5-11-23-19-13-16(4)15(3)12-17(19)18(22)14-21-9-7-20(6-2)8-10-21/h12-13H,5-11,14H2,1-4H3
InChIKeyPFYQQUTUCPCAHZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.91
Rot. Bonds7

About 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone

1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 93193762) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
PubChem CID93193762
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCCOc1cc(C)c(C)cc1C(=O)CN1CCN(CC)CC1
InChIInChI=1S/C19H30N2O2/c1-5-11-23-19-13-16(4)15(3)12-17(19)18(22)14-21-9-7-20(6-2)8-10-21/h12-13H,5-11,14H2,1-4H3
InChIKeyPFYQQUTUCPCAHZ-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193553
2-chloro-1-(4,5-dimethyl-2-propoxyphenyl)ethanone
CID 82053916
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
1-(2-butoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93192756
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone
CID 82053366
2-chloro-1-(2,5-dimethyl-4-propoxyphenyl)ethanone
CID 82053559
2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 93192466
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
CID 82051417
1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone
CID 82053093
1-(2-bromo-5-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 83988773

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone (CID 93193762) is 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone is CCCOc1cc(C)c(C)cc1C(=O)CN1CCN(CC)CC1.
What is the InChIKey of 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is PFYQQUTUCPCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-11-23-19-13-16(4)15(3)12-17(19)18(22)14-21-9-7-20(6-2)8-10-21/h12-13H,5-11,14H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 93193762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).