1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride

C20H24Cl2N2O3 — CID 120738747

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
SMILESCOc1ccc(OCCC(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C20H23ClN2O3.ClH/c1-25-15-6-8-16(9-7-15)26-13-10-20(24)23-12-11-22-14-19(23)17-4-2-3-5-18(17)21;/h2-9,19,22H,10-14H2,1H3;1H
InChIKeyRWPTUHBUWUJGCF-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.71
Rot. Bonds6

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride (PubChem CID 120738747) has the molecular formula C20H24Cl2N2O3 and a molecular weight of 411.33 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
PubChem CID120738747
Molecular FormulaC20H24Cl2N2O3
Molecular Weight411.33 g/mol
Exact Mass410.12
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
SMILESCOc1ccc(OCCC(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl
InChIInChI=1S/C20H23ClN2O3.ClH/c1-25-15-6-8-16(9-7-15)26-13-10-20(24)23-12-11-22-14-19(23)17-4-2-3-5-18(17)21;/h2-9,19,22H,10-14H2,1H3;1H
InChIKeyRWPTUHBUWUJGCF-UHFFFAOYSA-N
XLogP3.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride
CID 120739849
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
CID 120735273
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one
CID 120738181
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-1-one;hydrochloride
CID 120739165
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-1-one
CID 120739166
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride (CID 120738747) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride is COc1ccc(OCCC(=O)N2CCNCC2c2ccccc2Cl)cc1.Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride?
The InChIKey is RWPTUHBUWUJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3.ClH/c1-25-15-6-8-16(9-7-15)26-13-10-20(24)23-12-11-22-14-19(23)17-4-2-3-5-18(17)21;/h2-9,19,22H,10-14H2,1H3;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride has a molecular weight of 411.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 120738747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).