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

C14H21ClN2O2 — CID 17387901

IUPAC2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-15-7-9-16(10-8-15)14(17)11-12-3-5-13(18-2)6-4-12;/h3-6H,7-11H2,1-2H3;1H
InChIKeyUGRKRCAQIMTWJT-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.43
Rot. Bonds3

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

2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 17387901) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID17387901
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-15-7-9-16(10-8-15)14(17)11-12-3-5-13(18-2)6-4-12;/h3-6H,7-11H2,1-2H3;1H
InChIKeyUGRKRCAQIMTWJT-UHFFFAOYSA-N
XLogP1.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108534002
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721524
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride (CID 17387901) is 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride is COc1ccc(CC(=O)N2CCN(C)CC2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is UGRKRCAQIMTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-15-7-9-16(10-8-15)14(17)11-12-3-5-13(18-2)6-4-12;/h3-6H,7-11H2,1-2H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 17387901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).