2-(4-ethylpiperidin-1-yl)-6-fluoropyridine

C12H17FN2 — CID 61397764

IUPAC2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
SMILESCCC1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C12H17FN2/c1-2-10-6-8-15(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3
InChIKeyZVMQRNTYOIXDKQ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.85
Rot. Bonds2

About 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine

2-(4-ethylpiperidin-1-yl)-6-fluoropyridine (PubChem CID 61397764) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
PubChem CID61397764
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
SMILESCCC1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C12H17FN2/c1-2-10-6-8-15(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3
InChIKeyZVMQRNTYOIXDKQ-UHFFFAOYSA-N
XLogP2.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine (CID 61397764) is 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine is CCC1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine?
The InChIKey is ZVMQRNTYOIXDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-2-10-6-8-15(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine?
2-(4-ethylpiperidin-1-yl)-6-fluoropyridine has a molecular weight of 208.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-6-fluoropyridine is sourced from PubChem (CID 61397764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).