4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine

C24H29F3N2O2S — CID 118314268

IUPAC4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H29F3N2O2S/c1-18-10-14-28(15-11-18)21-12-16-29(17-13-21)32(30,31)23-5-3-2-4-22(23)19-6-8-20(9-7-19)24(25,26)27/h2-9,18,21H,10-17H2,1H3
InChIKeyWVUKOFJTQZGPOG-UHFFFAOYSA-N
MW466.57 g/mol
LogP5.26
Rot. Bonds4

About 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine

4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine (PubChem CID 118314268) has the molecular formula C24H29F3N2O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine
PubChem CID118314268
Molecular FormulaC24H29F3N2O2S
Molecular Weight466.57 g/mol
Exact Mass466.19
IUPAC Name4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H29F3N2O2S/c1-18-10-14-28(15-11-18)21-12-16-29(17-13-21)32(30,31)23-5-3-2-4-22(23)19-6-8-20(9-7-19)24(25,26)27/h2-9,18,21H,10-17H2,1H3
InChIKeyWVUKOFJTQZGPOG-UHFFFAOYSA-N
XLogP5.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine (CID 118314268) is 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine is CC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine?
The InChIKey is WVUKOFJTQZGPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2S/c1-18-10-14-28(15-11-18)21-12-16-29(17-13-21)32(30,31)23-5-3-2-4-22(23)19-6-8-20(9-7-19)24(25,26)27/h2-9,18,21H,10-17H2,1H3.
What are the key properties of 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine has a molecular weight of 466.57 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[2-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 118314268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).