3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine

C11H12ClF3N2O — CID 30772184

IUPAC3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(OC2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2O/c12-9-5-7(11(13,14)15)6-17-10(9)18-8-1-3-16-4-2-8/h5-6,8,16H,1-4H2
InChIKeyDKEQXMXJTFKZCS-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.88
Rot. Bonds2

About 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine

3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine (PubChem CID 30772184) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
PubChem CID30772184
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(OC2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2O/c12-9-5-7(11(13,14)15)6-17-10(9)18-8-1-3-16-4-2-8/h5-6,8,16H,1-4H2
InChIKeyDKEQXMXJTFKZCS-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine (CID 30772184) is 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(OC2CCNCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine?
The InChIKey is DKEQXMXJTFKZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-9-5-7(11(13,14)15)6-17-10(9)18-8-1-3-16-4-2-8/h5-6,8,16H,1-4H2.
What are the key properties of 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine?
3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine has a molecular weight of 280.68 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 30772184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).