3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine

C19H21F3N2O — CID 25263328

IUPAC3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESCc1c(C2CCNCC2)ccnc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O/c1-13-17(15-5-8-23-9-6-15)7-10-24-18(13)25-12-14-3-2-4-16(11-14)19(20,21)22/h2-4,7,10-11,15,23H,5-6,8-9,12H2,1H3
InChIKeyYECNKJKNQYEFGX-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.45
Rot. Bonds4

About 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine

3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine (PubChem CID 25263328) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine
PubChem CID25263328
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESCc1c(C2CCNCC2)ccnc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O/c1-13-17(15-5-8-23-9-6-15)7-10-24-18(13)25-12-14-3-2-4-16(11-14)19(20,21)22/h2-4,7,10-11,15,23H,5-6,8-9,12H2,1H3
InChIKeyYECNKJKNQYEFGX-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine?
The IUPAC name of 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine (CID 25263328) is 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine.
What is the SMILES notation for 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine?
The canonical SMILES for 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine is Cc1c(C2CCNCC2)ccnc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine?
The InChIKey is YECNKJKNQYEFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-13-17(15-5-8-23-9-6-15)7-10-24-18(13)25-12-14-3-2-4-16(11-14)19(20,21)22/h2-4,7,10-11,15,23H,5-6,8-9,12H2,1H3.
What are the key properties of 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine?
3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine has a molecular weight of 350.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperidin-4-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]pyridine is sourced from PubChem (CID 25263328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).