5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline

C12H17FN2O — CID 19627168

IUPAC5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Oc2ccc(F)cc2N)CC1
InChIInChI=1S/C12H17FN2O/c1-15-6-4-10(5-7-15)16-12-3-2-9(13)8-11(12)14/h2-3,8,10H,4-7,14H2,1H3
InChIKeyVYFARIXFBKAWTQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.88
Rot. Bonds2

About 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline

5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline (PubChem CID 19627168) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
PubChem CID19627168
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Oc2ccc(F)cc2N)CC1
InChIInChI=1S/C12H17FN2O/c1-15-6-4-10(5-7-15)16-12-3-2-9(13)8-11(12)14/h2-3,8,10H,4-7,14H2,1H3
InChIKeyVYFARIXFBKAWTQ-UHFFFAOYSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline?
The IUPAC name of 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline (CID 19627168) is 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline is CN1CCC(Oc2ccc(F)cc2N)CC1.
What is the InChIKey of 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline?
The InChIKey is VYFARIXFBKAWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15-6-4-10(5-7-15)16-12-3-2-9(13)8-11(12)14/h2-3,8,10H,4-7,14H2,1H3.
What are the key properties of 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline?
5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline has a molecular weight of 224.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 19627168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).