4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol

C11H17FN2O — CID 71049240

IUPAC4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol
SMILESCN1CCN(C2=C(F)C=CC(O)C2)CC1
InChIInChI=1S/C11H17FN2O/c1-13-4-6-14(7-5-13)11-8-9(15)2-3-10(11)12/h2-3,9,15H,4-8H2,1H3
InChIKeyFZLRFVUZURPYJA-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.74
Rot. Bonds1

About 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol

4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 71049240) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol
PubChem CID71049240
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol
SMILESCN1CCN(C2=C(F)C=CC(O)C2)CC1
InChIInChI=1S/C11H17FN2O/c1-13-4-6-14(7-5-13)11-8-9(15)2-3-10(11)12/h2-3,9,15H,4-8H2,1H3
InChIKeyFZLRFVUZURPYJA-UHFFFAOYSA-N
XLogP0.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol (CID 71049240) is 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol is CN1CCN(C2=C(F)C=CC(O)C2)CC1.
What is the InChIKey of 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is FZLRFVUZURPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-13-4-6-14(7-5-13)11-8-9(15)2-3-10(11)12/h2-3,9,15H,4-8H2,1H3.
What are the key properties of 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol?
4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 212.27 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 71049240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).