2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine

C17H16ClF3N2O — CID 133390966

IUPAC2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(N2CCC(Oc3ccccc3Cl)CC2)n1
InChIInChI=1S/C17H16ClF3N2O/c18-13-4-1-2-5-14(13)24-12-8-10-23(11-9-12)16-7-3-6-15(22-16)17(19,20)21/h1-7,12H,8-11H2
InChIKeyBYVLHIIKMUMNOO-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.80
Rot. Bonds3

About 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine

2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine (PubChem CID 133390966) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine
PubChem CID133390966
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(N2CCC(Oc3ccccc3Cl)CC2)n1
InChIInChI=1S/C17H16ClF3N2O/c18-13-4-1-2-5-14(13)24-12-8-10-23(11-9-12)16-7-3-6-15(22-16)17(19,20)21/h1-7,12H,8-11H2
InChIKeyBYVLHIIKMUMNOO-UHFFFAOYSA-N
XLogP4.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine (CID 133390966) is 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(N2CCC(Oc3ccccc3Cl)CC2)n1.
What is the InChIKey of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is BYVLHIIKMUMNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c18-13-4-1-2-5-14(13)24-12-8-10-23(11-9-12)16-7-3-6-15(22-16)17(19,20)21/h1-7,12H,8-11H2.
What are the key properties of 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 356.78 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 133390966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).