4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one

C16H22N2O3 — CID 138808202

IUPAC4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
SMILESO=C1CN(CCC2COCCO2)CCN1c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-16-12-17(7-6-15-13-20-10-11-21-15)8-9-18(16)14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyXDJFOOBCNSACCE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.14
Rot. Bonds4

About 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one

4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one (PubChem CID 138808202) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
PubChem CID138808202
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
SMILESO=C1CN(CCC2COCCO2)CCN1c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-16-12-17(7-6-15-13-20-10-11-21-15)8-9-18(16)14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyXDJFOOBCNSACCE-UHFFFAOYSA-N
XLogP1.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
4-(oxolan-3-yl)-1-phenylpiperazin-2-one
CID 131900443
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 138809318
1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
CID 138806981
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(3-phenylpropyl)piperidine;formic acid
CID 154919917
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
4-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)-1-phenylsulfanylbutan-2-one
CID 58107869
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 138808108
2-(1,4-dioxan-2-ylmethyl)-1,3-dihydroisoindole
CID 166602231
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 138806391

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one (CID 138808202) is 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one is O=C1CN(CCC2COCCO2)CCN1c1ccccc1.
What is the InChIKey of 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one?
The InChIKey is XDJFOOBCNSACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16-12-17(7-6-15-13-20-10-11-21-15)8-9-18(16)14-4-2-1-3-5-14/h1-5,15H,6-13H2.
What are the key properties of 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one?
4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 138808202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).