4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline

C15H15F3N2 — CID 130377887

IUPAC4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1ncc(C2CCNCC2)c2ccccc12
InChIInChI=1S/C15H15F3N2/c16-15(17,18)14-12-4-2-1-3-11(12)13(9-20-14)10-5-7-19-8-6-10/h1-4,9-10,19H,5-8H2
InChIKeyIUUXYLVJJFGGJI-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.72
Rot. Bonds1

About 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline

4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline (PubChem CID 130377887) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline.

Molecular Properties

Compound Name4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline
PubChem CID130377887
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1ncc(C2CCNCC2)c2ccccc12
InChIInChI=1S/C15H15F3N2/c16-15(17,18)14-12-4-2-1-3-11(12)13(9-20-14)10-5-7-19-8-6-10/h1-4,9-10,19H,5-8H2
InChIKeyIUUXYLVJJFGGJI-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-2-piperidin-4-yl-4-(trifluoromethyl)-1,3-oxazole
CID 174567175
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
4-cyclopropyl-1-(fluoromethoxy)isoquinoline
CID 151375832
4-(4-piperidin-4-ylsulfinylnaphthalen-1-yl)piperidine
CID 145358951
4-(2-fluorophenyl)piperidine;molecular hydrogen
CID 156796206
methane;3-piperidin-4-yl-1H-indole
CID 70444570
4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine
CID 118483533
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
5-piperidin-4-ylpyrimidine-2,4-diamine
CID 22461017
4-[2-(trifluoromethoxy)phenyl]azepane
CID 83262241

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline?
The IUPAC name of 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline (CID 130377887) is 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline.
What is the SMILES notation for 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline?
The canonical SMILES for 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline is FC(F)(F)c1ncc(C2CCNCC2)c2ccccc12.
What is the InChIKey of 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline?
The InChIKey is IUUXYLVJJFGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c16-15(17,18)14-12-4-2-1-3-11(12)13(9-20-14)10-5-7-19-8-6-10/h1-4,9-10,19H,5-8H2.
What are the key properties of 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline?
4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline has a molecular weight of 280.29 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1-(trifluoromethyl)isoquinoline is sourced from PubChem (CID 130377887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).