2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine

C19H18F6N2O — CID 11531519

IUPAC2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine
SMILESFC(F)(F)c1cc(COC2CCNCC2c2ccccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F6N2O/c20-18(21,22)13-7-12(8-14(9-13)19(23,24)25)11-28-17-4-6-26-10-15(17)16-3-1-2-5-27-16/h1-3,5,7-9,15,17,26H,4,6,10-11H2
InChIKeyBTDDHSGUNRHHJZ-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.78
Rot. Bonds4

About 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine

2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine (PubChem CID 11531519) has the molecular formula C19H18F6N2O and a molecular weight of 404.35 g/mol. Its IUPAC name is 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine
PubChem CID11531519
Molecular FormulaC19H18F6N2O
Molecular Weight404.35 g/mol
Exact Mass404.13
IUPAC Name2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine
SMILESFC(F)(F)c1cc(COC2CCNCC2c2ccccn2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F6N2O/c20-18(21,22)13-7-12(8-14(9-13)19(23,24)25)11-28-17-4-6-26-10-15(17)16-3-1-2-5-27-16/h1-3,5,7-9,15,17,26H,4,6,10-11H2
InChIKeyBTDDHSGUNRHHJZ-UHFFFAOYSA-N
XLogP4.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine?
The IUPAC name of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine (CID 11531519) is 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine.
What is the SMILES notation for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine?
The canonical SMILES for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine is FC(F)(F)c1cc(COC2CCNCC2c2ccccn2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine?
The InChIKey is BTDDHSGUNRHHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O/c20-18(21,22)13-7-12(8-14(9-13)19(23,24)25)11-28-17-4-6-26-10-15(17)16-3-1-2-5-27-16/h1-3,5,7-9,15,17,26H,4,6,10-11H2.
What are the key properties of 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine?
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine has a molecular weight of 404.35 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-3-yl]pyridine is sourced from PubChem (CID 11531519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).