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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Related Compounds

Florbetapir F-18
CID 24822371
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
US10155760, Example 126
CID 118419759
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
US10155760, Example 43
CID 118420203

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).