2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C19H21ClN2O2 — CID 873977

IUPAC2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3
InChIKeyYWVYYPLIKAYKFI-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 873977) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID873977
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3
InChIKeyYWVYYPLIKAYKFI-UHFFFAOYSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 873977) is 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is YWVYYPLIKAYKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 344.84 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 873977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).