1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride

C16H25ClN2O2 — CID 120569760

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride
SMILESCCOc1ccc(CC(=O)N2CCNC(C)C2C)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-4-20-15-7-5-14(6-8-15)11-16(19)18-10-9-17-12(2)13(18)3;/h5-8,12-13,17H,4,9-11H2,1-3H3;1H
InChIKeyHYUWECCTXQGFLC-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride

1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride (PubChem CID 120569760) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride
PubChem CID120569760
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride
SMILESCCOc1ccc(CC(=O)N2CCNC(C)C2C)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-4-20-15-7-5-14(6-8-15)11-16(19)18-10-9-17-12(2)13(18)3;/h5-8,12-13,17H,4,9-11H2,1-3H3;1H
InChIKeyHYUWECCTXQGFLC-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120572097
(3R)-4-[2-(4-ethoxyphenyl)acetyl]-3-methyl-1,4-diazepan-2-one
CID 99791509
1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 120571561
4-[2-(4-ethoxyphenyl)acetyl]-1,3-dimethylpiperazin-2-one
CID 110741176
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-(2,3-dimethylpiperazin-1-yl)-2-(5-methylthiophen-2-yl)ethanone;hydrochloride
CID 120572529
2-(4-ethoxyphenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61408770
N-[4-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120571168
1-(2,3-dimethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120569587
1-(2,3-dimethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 120572759
2-(4-chloro-3-methylphenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572237

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride (CID 120569760) is 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride is CCOc1ccc(CC(=O)N2CCNC(C)C2C)cc1.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride?
The InChIKey is HYUWECCTXQGFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-4-20-15-7-5-14(6-8-15)11-16(19)18-10-9-17-12(2)13(18)3;/h5-8,12-13,17H,4,9-11H2,1-3H3;1H.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride?
1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 120569760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).