2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one

C13H14F3NO — CID 18630853

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one
SMILESO=C1CCNC(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)10-3-1-9(2-4-10)7-11-8-12(18)5-6-17-11/h1-4,11,17H,5-8H2
InChIKeyRGLTUBPUWWSKAR-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.57
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one

2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one (PubChem CID 18630853) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one
PubChem CID18630853
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one
SMILESO=C1CCNC(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)10-3-1-9(2-4-10)7-11-8-12(18)5-6-17-11/h1-4,11,17H,5-8H2
InChIKeyRGLTUBPUWWSKAR-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one (CID 18630853) is 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one is O=C1CCNC(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one?
The InChIKey is RGLTUBPUWWSKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)10-3-1-9(2-4-10)7-11-8-12(18)5-6-17-11/h1-4,11,17H,5-8H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one?
2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one has a molecular weight of 257.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one is sourced from PubChem (CID 18630853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).