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

C16H23ClN2O3 — CID 111439548

IUPAC2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(CCOCCO)CC1
InChIInChI=1S/C16H23ClN2O3/c17-15-3-1-14(2-4-15)13-16(21)19-7-5-18(6-8-19)9-11-22-12-10-20/h1-4,20H,5-13H2
InChIKeyDUVLKCIMSGZNAL-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.04
Rot. Bonds7

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

2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone (PubChem CID 111439548) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone
PubChem CID111439548
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(CCOCCO)CC1
InChIInChI=1S/C16H23ClN2O3/c17-15-3-1-14(2-4-15)13-16(21)19-7-5-18(6-8-19)9-11-22-12-10-20/h1-4,20H,5-13H2
InChIKeyDUVLKCIMSGZNAL-UHFFFAOYSA-N
XLogP1.04
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone (CID 111439548) is 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN(CCOCCO)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone?
The InChIKey is DUVLKCIMSGZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c17-15-3-1-14(2-4-15)13-16(21)19-7-5-18(6-8-19)9-11-22-12-10-20/h1-4,20H,5-13H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone has a molecular weight of 326.82 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 111439548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).