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

C18H28N2O3 — CID 139598682

IUPAC1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-22-18-6-4-3-5-17(18)20-11-9-19(10-12-20)8-7-16-15-21-13-14-23-16/h3-6,16H,2,7-15H2,1H3
InChIKeyBPZNFHYHBKYSHN-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.01
Rot. Bonds6

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

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine (PubChem CID 139598682) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
PubChem CID139598682
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-22-18-6-4-3-5-17(18)20-11-9-19(10-12-20)8-7-16-15-21-13-14-23-16/h3-6,16H,2,7-15H2,1H3
InChIKeyBPZNFHYHBKYSHN-UHFFFAOYSA-N
XLogP2.01
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
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-methoxyphenyl)piperidine
CID 138807451
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 138809318
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride
CID 19811459
4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 95352096
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
3-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 110185748
(5R)-3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4,5-dihydro-1,2-oxazole
CID 16744171

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine (CID 139598682) is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(CCC2COCCO2)CC1.
What is the InChIKey of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine?
The InChIKey is BPZNFHYHBKYSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-22-18-6-4-3-5-17(18)20-11-9-19(10-12-20)8-7-16-15-21-13-14-23-16/h3-6,16H,2,7-15H2,1H3.
What are the key properties of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine?
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine has a molecular weight of 320.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 139598682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).