4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline

C13H20FN3O — CID 141305241

IUPAC4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline
SMILESCCN1CCN(c2cc(F)c(N)c(OC)c2)CC1
InChIInChI=1S/C13H20FN3O/c1-3-16-4-6-17(7-5-16)10-8-11(14)13(15)12(9-10)18-2/h8-9H,3-7,15H2,1-2H3
InChIKeyPGVOIZYPWNDFPF-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.56
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline

4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline (PubChem CID 141305241) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline
PubChem CID141305241
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline
SMILESCCN1CCN(c2cc(F)c(N)c(OC)c2)CC1
InChIInChI=1S/C13H20FN3O/c1-3-16-4-6-17(7-5-16)10-8-11(14)13(15)12(9-10)18-2/h8-9H,3-7,15H2,1-2H3
InChIKeyPGVOIZYPWNDFPF-UHFFFAOYSA-N
XLogP1.56
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline
CID 166463434
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
N-(3-amino-4-methoxyphenyl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119419669
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline
CID 63593438
2-(4-ethylpiperazin-1-yl)-4-fluoro-5-iodoaniline
CID 66101614
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
CID 145414301
4-amino-3-fluoro-5-methoxybenzenethiol
CID 91874654
1-ethyl-4-(3-fluoro-4-isocyanatophenyl)piperazine
CID 169355749
1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine
CID 106547733
3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine
CID 114478419

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline (CID 141305241) is 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline is CCN1CCN(c2cc(F)c(N)c(OC)c2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline?
The InChIKey is PGVOIZYPWNDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-16-4-6-17(7-5-16)10-8-11(14)13(15)12(9-10)18-2/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline?
4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline has a molecular weight of 253.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline is sourced from PubChem (CID 141305241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).