1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone

C18H24F3NO — CID 70323641

IUPAC1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone
SMILESCCCC1CN(c2cc(C(F)(F)F)ccc2C(C)=O)CCC1C
InChIInChI=1S/C18H24F3NO/c1-4-5-14-11-22(9-8-12(14)2)17-10-15(18(19,20)21)6-7-16(17)13(3)23/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3
InChIKeyYFZYOEPUVIRUFD-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.17
Rot. Bonds4

About 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone

1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 70323641) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone
PubChem CID70323641
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone
SMILESCCCC1CN(c2cc(C(F)(F)F)ccc2C(C)=O)CCC1C
InChIInChI=1S/C18H24F3NO/c1-4-5-14-11-22(9-8-12(14)2)17-10-15(18(19,20)21)6-7-16(17)13(3)23/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3
InChIKeyYFZYOEPUVIRUFD-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone (CID 70323641) is 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone is CCCC1CN(c2cc(C(F)(F)F)ccc2C(C)=O)CCC1C.
What is the InChIKey of 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is YFZYOEPUVIRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-4-5-14-11-22(9-8-12(14)2)17-10-15(18(19,20)21)6-7-16(17)13(3)23/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone?
1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 327.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-3-propylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 70323641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).