1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine

C18H28N2O2 — CID 138806270

IUPAC1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(CCC3COCCO3)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-4-17(5-3-1)6-8-19-10-12-20(13-11-19)9-7-18-16-21-14-15-22-18/h1-5,18H,6-16H2
InChIKeyQEJSBDCTRQIUIU-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.65
Rot. Bonds6

About 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine (PubChem CID 138806270) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
PubChem CID138806270
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(CCC3COCCO3)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-4-17(5-3-1)6-8-19-10-12-20(13-11-19)9-7-18-16-21-14-15-22-18/h1-5,18H,6-16H2
InChIKeyQEJSBDCTRQIUIU-UHFFFAOYSA-N
XLogP1.65
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(3-phenylpropyl)piperidine;formic acid
CID 154919917
2-(3-phenylpropyl)-1,4-dioxane
CID 100963956
2-benzyl-1,4-dioxane
CID 12910406
4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
CID 138808202
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 138806391
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-(2-ethoxyphenyl)piperazine
CID 139598682
methane;4-(2-phenylethyl)morpholine
CID 143698819
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
4-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]morpholine
CID 139599433

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine (CID 138806270) is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine is c1ccc(CCN2CCN(CCC3COCCO3)CC2)cc1.
What is the InChIKey of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine?
The InChIKey is QEJSBDCTRQIUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-4-17(5-3-1)6-8-19-10-12-20(13-11-19)9-7-18-16-21-14-15-22-18/h1-5,18H,6-16H2.
What are the key properties of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine?
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine has a molecular weight of 304.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 138806270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).