1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride

C20H31ClN2O3 — CID 120733808

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)COC1CCCCC1C.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-15-7-3-5-9-18(15)25-14-20(23)22-12-11-21-13-17(22)16-8-4-6-10-19(16)24-2;/h4,6,8,10,15,17-18,21H,3,5,7,9,11-14H2,1-2H3;1H
InChIKeyGAGFGDLBXRABMI-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride (PubChem CID 120733808) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride
PubChem CID120733808
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)COC1CCCCC1C.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-15-7-3-5-9-18(15)25-14-20(23)22-12-11-21-13-17(22)16-8-4-6-10-19(16)24-2;/h4,6,8,10,15,17-18,21H,3,5,7,9,11-14H2,1-2H3;1H
InChIKeyGAGFGDLBXRABMI-UHFFFAOYSA-N
XLogP3.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
CID 120733856
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120734581
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734383
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 120734193
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride (CID 120733808) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)COC1CCCCC1C.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride?
The InChIKey is GAGFGDLBXRABMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-15-7-3-5-9-18(15)25-14-20(23)22-12-11-21-13-17(22)16-8-4-6-10-19(16)24-2;/h4,6,8,10,15,17-18,21H,3,5,7,9,11-14H2,1-2H3;1H.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride is sourced from PubChem (CID 120733808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).