1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine

C17H26N2O3 — CID 86795517

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(CCC2OCCO2)CC1
InChIInChI=1S/C17H26N2O3/c1-2-20-16-6-4-3-5-15(16)19-11-9-18(10-12-19)8-7-17-21-13-14-22-17/h3-6,17H,2,7-14H2,1H3
InChIKeyIJBDXYSQXDXYBW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine

1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine (PubChem CID 86795517) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
PubChem CID86795517
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(CCC2OCCO2)CC1
InChIInChI=1S/C17H26N2O3/c1-2-20-16-6-4-3-5-15(16)19-11-9-18(10-12-19)8-7-17-21-13-14-22-17/h3-6,17H,2,7-14H2,1H3
InChIKeyIJBDXYSQXDXYBW-UHFFFAOYSA-N
XLogP1.97
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
3-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 110185748
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
CID 11186738
N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide
CID 91281800
5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride
CID 19811459
5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one
CID 57185140
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine (CID 86795517) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(CCC2OCCO2)CC1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine?
The InChIKey is IJBDXYSQXDXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-20-16-6-4-3-5-15(16)19-11-9-18(10-12-19)8-7-17-21-13-14-22-17/h3-6,17H,2,7-14H2,1H3.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine?
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine has a molecular weight of 306.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 86795517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).