[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C20H23ClN2O3 — CID 27847327

IUPAC[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-25-18-6-2-16(3-7-18)20(24)23-12-10-22(11-13-23)14-15-26-19-8-4-17(21)5-9-19/h2-9H,10-15H2,1H3
InChIKeyVEVXEIFEZQIXSC-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.19
Rot. Bonds6

About [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 27847327) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID27847327
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-25-18-6-2-16(3-7-18)20(24)23-12-10-22(11-13-23)14-15-26-19-8-4-17(21)5-9-19/h2-9H,10-15H2,1H3
InChIKeyVEVXEIFEZQIXSC-UHFFFAOYSA-N
XLogP3.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 27847327) is [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is VEVXEIFEZQIXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-18-6-2-16(3-7-18)20(24)23-12-10-22(11-13-23)14-15-26-19-8-4-17(21)5-9-19/h2-9H,10-15H2,1H3.
What are the key properties of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 374.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 27847327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).