2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone

C18H20N2O2 — CID 82251696

IUPAC2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1)N1CCNCC1c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(14-22-16-9-5-2-6-10-16)20-12-11-19-13-17(20)15-7-3-1-4-8-15/h1-10,17,19H,11-14H2
InChIKeyHEGFZEHLAKKMKH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.24
Rot. Bonds4

About 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone

2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone (PubChem CID 82251696) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
PubChem CID82251696
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1)N1CCNCC1c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(14-22-16-9-5-2-6-10-16)20-12-11-19-13-17(20)15-7-3-1-4-8-15/h1-10,17,19H,11-14H2
InChIKeyHEGFZEHLAKKMKH-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388
2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737113
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone (CID 82251696) is 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone is O=C(COc1ccccc1)N1CCNCC1c1ccccc1.
What is the InChIKey of 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone?
The InChIKey is HEGFZEHLAKKMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(14-22-16-9-5-2-6-10-16)20-12-11-19-13-17(20)15-7-3-1-4-8-15/h1-10,17,19H,11-14H2.
What are the key properties of 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone?
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone has a molecular weight of 296.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 82251696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).