1-(3-ethoxyphenyl)piperazine

C12H18N2O — CID 14519634

IUPAC1-(3-ethoxyphenyl)piperazine
SMILESCCOc1cccc(N2CCNCC2)c1
InChIInChI=1S/C12H18N2O/c1-2-15-12-5-3-4-11(10-12)14-8-6-13-7-9-14/h3-5,10,13H,2,6-9H2,1H3
InChIKeySNOLWZPEAPGOOD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.49
Rot. Bonds3

About 1-(3-ethoxyphenyl)piperazine

1-(3-ethoxyphenyl)piperazine (PubChem CID 14519634) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)piperazine
PubChem CID14519634
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(3-ethoxyphenyl)piperazine
SMILESCCOc1cccc(N2CCNCC2)c1
InChIInChI=1S/C12H18N2O/c1-2-15-12-5-3-4-11(10-12)14-8-6-13-7-9-14/h3-5,10,13H,2,6-9H2,1H3
InChIKeySNOLWZPEAPGOOD-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-prop-2-enoxyphenyl)piperazine
CID 23116631
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(3-ethoxyphenyl)-3,3-dimethylpiperazine
CID 64952517
1-[3-(2-ethylhexoxy)phenyl]piperazine
CID 63459959
1-(8-ethoxynaphthalen-2-yl)piperazine
CID 22636200
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-(3-pentan-2-yloxyphenyl)-1,4-diazepane
CID 107885904
1-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]-1,4-diazepane
CID 106705834
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)piperazine?
The IUPAC name of 1-(3-ethoxyphenyl)piperazine (CID 14519634) is 1-(3-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-ethoxyphenyl)piperazine?
The canonical SMILES for 1-(3-ethoxyphenyl)piperazine is CCOc1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)piperazine?
The InChIKey is SNOLWZPEAPGOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-12-5-3-4-11(10-12)14-8-6-13-7-9-14/h3-5,10,13H,2,6-9H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)piperazine?
1-(3-ethoxyphenyl)piperazine has a molecular weight of 206.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)piperazine is sourced from PubChem (CID 14519634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).