1-[3-(2-ethylhexoxy)phenyl]piperazine

C18H30N2O — CID 63459959

IUPAC1-[3-(2-ethylhexoxy)phenyl]piperazine
SMILESCCCCC(CC)COc1cccc(N2CCNCC2)c1
InChIInChI=1S/C18H30N2O/c1-3-5-7-16(4-2)15-21-18-9-6-8-17(14-18)20-12-10-19-11-13-20/h6,8-9,14,16,19H,3-5,7,10-13,15H2,1-2H3
InChIKeyQRRGBOJYLTWWCZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.69
Rot. Bonds8

About 1-[3-(2-ethylhexoxy)phenyl]piperazine

1-[3-(2-ethylhexoxy)phenyl]piperazine (PubChem CID 63459959) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[3-(2-ethylhexoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-(2-ethylhexoxy)phenyl]piperazine
PubChem CID63459959
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[3-(2-ethylhexoxy)phenyl]piperazine
SMILESCCCCC(CC)COc1cccc(N2CCNCC2)c1
InChIInChI=1S/C18H30N2O/c1-3-5-7-16(4-2)15-21-18-9-6-8-17(14-18)20-12-10-19-11-13-20/h6,8-9,14,16,19H,3-5,7,10-13,15H2,1-2H3
InChIKeyQRRGBOJYLTWWCZ-UHFFFAOYSA-N
XLogP3.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)piperazine
CID 14519634
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
1-(3-pentan-2-yloxyphenyl)-1,4-diazepane
CID 107885904
1-(3-prop-2-enoxyphenyl)piperazine
CID 23116631
(3-piperazin-1-ylphenyl) N-(4-butoxyphenyl)carbamate
CID 71541070
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylhexoxy)phenyl]piperazine?
The IUPAC name of 1-[3-(2-ethylhexoxy)phenyl]piperazine (CID 63459959) is 1-[3-(2-ethylhexoxy)phenyl]piperazine.
What is the SMILES notation for 1-[3-(2-ethylhexoxy)phenyl]piperazine?
The canonical SMILES for 1-[3-(2-ethylhexoxy)phenyl]piperazine is CCCCC(CC)COc1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-(2-ethylhexoxy)phenyl]piperazine?
The InChIKey is QRRGBOJYLTWWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-7-16(4-2)15-21-18-9-6-8-17(14-18)20-12-10-19-11-13-20/h6,8-9,14,16,19H,3-5,7,10-13,15H2,1-2H3.
What are the key properties of 1-[3-(2-ethylhexoxy)phenyl]piperazine?
1-[3-(2-ethylhexoxy)phenyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylhexoxy)phenyl]piperazine is sourced from PubChem (CID 63459959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).