4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine

C18H25F3N2O2S — CID 1433359

IUPAC4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C18H25F3N2O2S/c1-14-6-10-22(11-7-14)16-8-12-23(13-9-16)26(24,25)17-4-2-15(3-5-17)18(19,20)21/h2-5,14,16H,6-13H2,1H3
InChIKeyFDPIKVUMSWAMQG-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.59
Rot. Bonds3

About 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine

4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine (PubChem CID 1433359) has the molecular formula C18H25F3N2O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine
PubChem CID1433359
Molecular FormulaC18H25F3N2O2S
Molecular Weight390.47 g/mol
Exact Mass390.16
IUPAC Name4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C18H25F3N2O2S/c1-14-6-10-22(11-7-14)16-8-12-23(13-9-16)26(24,25)17-4-2-15(3-5-17)18(19,20)21/h2-5,14,16H,6-13H2,1H3
InChIKeyFDPIKVUMSWAMQG-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine 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 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine (CID 1433359) is 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine is CC1CCN(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine?
The InChIKey is FDPIKVUMSWAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2S/c1-14-6-10-22(11-7-14)16-8-12-23(13-9-16)26(24,25)17-4-2-15(3-5-17)18(19,20)21/h2-5,14,16H,6-13H2,1H3.
What are the key properties of 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine has a molecular weight of 390.47 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 1433359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).