4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C18H25F3N2O2S — CID 46287302

IUPAC4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C18H25F3N2O2S/c19-18(20,21)16-5-4-6-17(13-16)26(24,25)23-11-7-15(8-12-23)14-22-9-2-1-3-10-22/h4-6,13,15H,1-3,7-12,14H2
InChIKeyLZGDYPRUINTBGO-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.59
Rot. Bonds4

About 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 46287302) has the molecular formula C18H25F3N2O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID46287302
Molecular FormulaC18H25F3N2O2S
Molecular Weight390.47 g/mol
Exact Mass390.16
IUPAC Name4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C18H25F3N2O2S/c19-18(20,21)16-5-4-6-17(13-16)26(24,25)23-11-7-15(8-12-23)14-22-9-2-1-3-10-22/h4-6,13,15H,1-3,7-12,14H2
InChIKeyLZGDYPRUINTBGO-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 46287302) is 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is LZGDYPRUINTBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2S/c19-18(20,21)16-5-4-6-17(13-16)26(24,25)23-11-7-15(8-12-23)14-22-9-2-1-3-10-22/h4-6,13,15H,1-3,7-12,14H2.
What are the key properties of 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 390.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 46287302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).