4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile

C13H13F3N2O — CID 90751429

IUPAC4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OC2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)11-7-9(8-17)1-2-12(11)19-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6H2
InChIKeyKJELZAQVMYKBOE-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.71
Rot. Bonds2

About 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile

4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile (PubChem CID 90751429) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile
PubChem CID90751429
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OC2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)11-7-9(8-17)1-2-12(11)19-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6H2
InChIKeyKJELZAQVMYKBOE-UHFFFAOYSA-N
XLogP2.71
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile (CID 90751429) is 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(OC2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile?
The InChIKey is KJELZAQVMYKBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)11-7-9(8-17)1-2-12(11)19-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6H2.
What are the key properties of 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile?
4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile has a molecular weight of 270.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 90751429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).