5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine

C12H16ClFN2O — CID 134515125

IUPAC5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine
SMILESCCN1CCC(Oc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C12H16ClFN2O/c1-2-16-5-3-10(4-6-16)17-12-11(14)7-9(13)8-15-12/h7-8,10H,2-6H2,1H3
InChIKeyFTLSBRROOCOBPO-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine

5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine (PubChem CID 134515125) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine
PubChem CID134515125
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine
SMILESCCN1CCC(Oc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C12H16ClFN2O/c1-2-16-5-3-10(4-6-16)17-12-11(14)7-9(13)8-15-12/h7-8,10H,2-6H2,1H3
InChIKeyFTLSBRROOCOBPO-UHFFFAOYSA-N
XLogP2.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine?
The IUPAC name of 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine (CID 134515125) is 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine is CCN1CCC(Oc2ncc(Cl)cc2F)CC1.
What is the InChIKey of 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine?
The InChIKey is FTLSBRROOCOBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-2-16-5-3-10(4-6-16)17-12-11(14)7-9(13)8-15-12/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine?
5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine has a molecular weight of 258.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-ethylpiperidin-4-yl)oxy-3-fluoropyridine is sourced from PubChem (CID 134515125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).