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

C19H27ClN2O3 — CID 86789179

IUPAC2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(CCOC2CCCCO2)CC1
InChIInChI=1S/C19H27ClN2O3/c20-17-6-2-1-5-16(17)15-18(23)22-10-8-21(9-11-22)12-14-25-19-7-3-4-13-24-19/h1-2,5-6,19H,3-4,7-15H2
InChIKeyHOHWSLMTERQYBI-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.57
Rot. Bonds6

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

2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone (PubChem CID 86789179) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone
PubChem CID86789179
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(CCOC2CCCCO2)CC1
InChIInChI=1S/C19H27ClN2O3/c20-17-6-2-1-5-16(17)15-18(23)22-10-8-21(9-11-22)12-14-25-19-7-3-4-13-24-19/h1-2,5-6,19H,3-4,7-15H2
InChIKeyHOHWSLMTERQYBI-UHFFFAOYSA-N
XLogP2.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone (CID 86789179) is 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN(CCOC2CCCCO2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone?
The InChIKey is HOHWSLMTERQYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c20-17-6-2-1-5-16(17)15-18(23)22-10-8-21(9-11-22)12-14-25-19-7-3-4-13-24-19/h1-2,5-6,19H,3-4,7-15H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone has a molecular weight of 366.89 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 86789179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).