5-fluoro-4-methoxy-2-piperazin-1-ylaniline

C11H16FN3O — CID 63597500

IUPAC5-fluoro-4-methoxy-2-piperazin-1-ylaniline
SMILESCOc1cc(N2CCNCC2)c(N)cc1F
InChIInChI=1S/C11H16FN3O/c1-16-11-7-10(9(13)6-8(11)12)15-4-2-14-3-5-15/h6-7,14H,2-5,13H2,1H3
InChIKeyKIWLIEYYCFQJCH-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.83
Rot. Bonds2

About 5-fluoro-4-methoxy-2-piperazin-1-ylaniline

5-fluoro-4-methoxy-2-piperazin-1-ylaniline (PubChem CID 63597500) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-piperazin-1-ylaniline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-piperazin-1-ylaniline
PubChem CID63597500
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-4-methoxy-2-piperazin-1-ylaniline
SMILESCOc1cc(N2CCNCC2)c(N)cc1F
InChIInChI=1S/C11H16FN3O/c1-16-11-7-10(9(13)6-8(11)12)15-4-2-14-3-5-15/h6-7,14H,2-5,13H2,1H3
InChIKeyKIWLIEYYCFQJCH-UHFFFAOYSA-N
XLogP0.83
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
4-ethoxy-5-fluoro-2-piperazin-1-ylaniline
CID 63592529
5-fluoro-2-piperazin-1-yl-4-propoxyaniline
CID 63593326
1-[4-(2-amino-4-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
CID 55215680
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
CID 81097828
5-fluoro-4-methoxy-2-(1,4-oxazepan-4-yl)aniline
CID 63598726
1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide
CID 55215681
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
CID 63597631
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
3,5-difluoro-2-methoxy-4-piperazin-1-ylaniline
CID 88756943
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-piperazin-1-ylaniline?
The IUPAC name of 5-fluoro-4-methoxy-2-piperazin-1-ylaniline (CID 63597500) is 5-fluoro-4-methoxy-2-piperazin-1-ylaniline.
What is the SMILES notation for 5-fluoro-4-methoxy-2-piperazin-1-ylaniline?
The canonical SMILES for 5-fluoro-4-methoxy-2-piperazin-1-ylaniline is COc1cc(N2CCNCC2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-piperazin-1-ylaniline?
The InChIKey is KIWLIEYYCFQJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-16-11-7-10(9(13)6-8(11)12)15-4-2-14-3-5-15/h6-7,14H,2-5,13H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-2-piperazin-1-ylaniline?
5-fluoro-4-methoxy-2-piperazin-1-ylaniline has a molecular weight of 225.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-piperazin-1-ylaniline is sourced from PubChem (CID 63597500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).