1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone

C15H18F3NO2 — CID 102756763

IUPAC1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)COC1CCNCC1
InChIInChI=1S/C15H18F3NO2/c1-10-8-11(15(16,17)18)2-3-13(10)14(20)9-21-12-4-6-19-7-5-12/h2-3,8,12,19H,4-7,9H2,1H3
InChIKeyWIOBAPDVRGDYRM-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone

1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone (PubChem CID 102756763) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone
PubChem CID102756763
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)COC1CCNCC1
InChIInChI=1S/C15H18F3NO2/c1-10-8-11(15(16,17)18)2-3-13(10)14(20)9-21-12-4-6-19-7-5-12/h2-3,8,12,19H,4-7,9H2,1H3
InChIKeyWIOBAPDVRGDYRM-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone (CID 102756763) is 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone is Cc1cc(C(F)(F)F)ccc1C(=O)COC1CCNCC1.
What is the InChIKey of 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone?
The InChIKey is WIOBAPDVRGDYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-10-8-11(15(16,17)18)2-3-13(10)14(20)9-21-12-4-6-19-7-5-12/h2-3,8,12,19H,4-7,9H2,1H3.
What are the key properties of 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone?
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone has a molecular weight of 301.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(trifluoromethyl)phenyl]-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 102756763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).