2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride

C13H18ClF3N2O — CID 53408870

IUPAC2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(OCCC2CCCCN2)nc1
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)10-4-5-12(18-9-10)19-8-6-11-3-1-2-7-17-11;/h4-5,9,11,17H,1-3,6-8H2;1H
InChIKeyWDPICIXKZFFLGW-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.43
Rot. Bonds4

About 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride

2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 53408870) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
PubChem CID53408870
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(OCCC2CCCCN2)nc1
InChIInChI=1S/C13H17F3N2O.ClH/c14-13(15,16)10-4-5-12(18-9-10)19-8-6-11-3-1-2-7-17-11;/h4-5,9,11,17H,1-3,6-8H2;1H
InChIKeyWDPICIXKZFFLGW-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride?
The IUPAC name of 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride (CID 53408870) is 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride?
The canonical SMILES for 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride is Cl.FC(F)(F)c1ccc(OCCC2CCCCN2)nc1.
What is the InChIKey of 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride?
The InChIKey is WDPICIXKZFFLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.ClH/c14-13(15,16)10-4-5-12(18-9-10)19-8-6-11-3-1-2-7-17-11;/h4-5,9,11,17H,1-3,6-8H2;1H.
What are the key properties of 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride?
2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 310.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 53408870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).