2-fluoro-5-piperidin-4-ylaniline

C11H15FN2 — CID 24904346

IUPAC2-fluoro-5-piperidin-4-ylaniline
SMILESNc1cc(C2CCNCC2)ccc1F
InChIInChI=1S/C11H15FN2/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6,13H2
InChIKeyNSRYQKSDILMISS-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.87
Rot. Bonds1

About 2-fluoro-5-piperidin-4-ylaniline

2-fluoro-5-piperidin-4-ylaniline (PubChem CID 24904346) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-5-piperidin-4-ylaniline.

Molecular Properties

Compound Name2-fluoro-5-piperidin-4-ylaniline
PubChem CID24904346
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-fluoro-5-piperidin-4-ylaniline
SMILESNc1cc(C2CCNCC2)ccc1F
InChIInChI=1S/C11H15FN2/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6,13H2
InChIKeyNSRYQKSDILMISS-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-piperidin-4-ylaniline?
The IUPAC name of 2-fluoro-5-piperidin-4-ylaniline (CID 24904346) is 2-fluoro-5-piperidin-4-ylaniline.
What is the SMILES notation for 2-fluoro-5-piperidin-4-ylaniline?
The canonical SMILES for 2-fluoro-5-piperidin-4-ylaniline is Nc1cc(C2CCNCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-piperidin-4-ylaniline?
The InChIKey is NSRYQKSDILMISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6,13H2.
What are the key properties of 2-fluoro-5-piperidin-4-ylaniline?
2-fluoro-5-piperidin-4-ylaniline has a molecular weight of 194.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-piperidin-4-ylaniline is sourced from PubChem (CID 24904346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).