2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride

C14H21ClN2O2 — CID 119577033

IUPAC2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11-10-16(8-7-15-11)14(17)9-12-3-5-13(18-2)6-4-12;/h3-6,11,15H,7-10H2,1-2H3;1H
InChIKeyWLJCRDGDOKEPDX-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.48
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride

2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119577033) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119577033
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11-10-16(8-7-15-11)14(17)9-12-3-5-13(18-2)6-4-12;/h3-6,11,15H,7-10H2,1-2H3;1H
InChIKeyWLJCRDGDOKEPDX-UHFFFAOYSA-N
XLogP1.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578268
2-(4-aminophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 122080587
2-(4-chlorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 81428539
2-(3-bromo-4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 84607778
1-[(3R)-3-methylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 81426431
3-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)butan-1-one
CID 119579126
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 119579172
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride (CID 119577033) is 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride is COc1ccc(CC(=O)N2CCNC(C)C2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is WLJCRDGDOKEPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-11-10-16(8-7-15-11)14(17)9-12-3-5-13(18-2)6-4-12;/h3-6,11,15H,7-10H2,1-2H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119577033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).