3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol

C16H22N2O3 — CID 163086168

IUPAC3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol
SMILESCOc1ccc(C=C2NC(O)C(=CC(C)C)NC2O)cc1
InChIInChI=1S/C16H22N2O3/c1-10(2)8-13-15(19)18-14(16(20)17-13)9-11-4-6-12(21-3)7-5-11/h4-10,15-20H,1-3H3
InChIKeyIEZQKQFIWPPHCL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.41
Rot. Bonds3

About 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol

3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol (PubChem CID 163086168) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol
PubChem CID163086168
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol
SMILESCOc1ccc(C=C2NC(O)C(=CC(C)C)NC2O)cc1
InChIInChI=1S/C16H22N2O3/c1-10(2)8-13-15(19)18-14(16(20)17-13)9-11-4-6-12(21-3)7-5-11/h4-10,15-20H,1-3H3
InChIKeyIEZQKQFIWPPHCL-UHFFFAOYSA-N
XLogP1.41
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol?
The IUPAC name of 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol (CID 163086168) is 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol?
The canonical SMILES for 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol is COc1ccc(C=C2NC(O)C(=CC(C)C)NC2O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol?
The InChIKey is IEZQKQFIWPPHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)8-13-15(19)18-14(16(20)17-13)9-11-4-6-12(21-3)7-5-11/h4-10,15-20H,1-3H3.
What are the key properties of 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol?
3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol has a molecular weight of 290.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol is sourced from PubChem (CID 163086168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).