3-(3-ethylpiperidin-1-yl)-5-fluoroaniline

C13H19FN2 — CID 60876528

IUPAC3-(3-ethylpiperidin-1-yl)-5-fluoroaniline
SMILESCCC1CCCN(c2cc(N)cc(F)c2)C1
InChIInChI=1S/C13H19FN2/c1-2-10-4-3-5-16(9-10)13-7-11(14)6-12(15)8-13/h6-8,10H,2-5,9,15H2,1H3
InChIKeyZWUNXROJATZCJF-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.03
Rot. Bonds2

About 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline

3-(3-ethylpiperidin-1-yl)-5-fluoroaniline (PubChem CID 60876528) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(3-ethylpiperidin-1-yl)-5-fluoroaniline
PubChem CID60876528
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-(3-ethylpiperidin-1-yl)-5-fluoroaniline
SMILESCCC1CCCN(c2cc(N)cc(F)c2)C1
InChIInChI=1S/C13H19FN2/c1-2-10-4-3-5-16(9-10)13-7-11(14)6-12(15)8-13/h6-8,10H,2-5,9,15H2,1H3
InChIKeyZWUNXROJATZCJF-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
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 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline?
The IUPAC name of 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline (CID 60876528) is 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline.
What is the SMILES notation for 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline?
The canonical SMILES for 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline is CCC1CCCN(c2cc(N)cc(F)c2)C1.
What is the InChIKey of 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline?
The InChIKey is ZWUNXROJATZCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-10-4-3-5-16(9-10)13-7-11(14)6-12(15)8-13/h6-8,10H,2-5,9,15H2,1H3.
What are the key properties of 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline?
3-(3-ethylpiperidin-1-yl)-5-fluoroaniline has a molecular weight of 222.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidin-1-yl)-5-fluoroaniline is sourced from PubChem (CID 60876528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).