1-[4-(trifluoromethylsulfonyl)phenyl]piperidine

C12H14F3NO2S — CID 890409

IUPAC1-[4-(trifluoromethylsulfonyl)phenyl]piperidine
SMILESO=S(=O)(c1ccc(N2CCCCC2)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-6-4-10(5-7-11)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2
InChIKeyQOBZVDJCQQHKLT-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.97
Rot. Bonds2

About 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine

1-[4-(trifluoromethylsulfonyl)phenyl]piperidine (PubChem CID 890409) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(trifluoromethylsulfonyl)phenyl]piperidine
PubChem CID890409
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name1-[4-(trifluoromethylsulfonyl)phenyl]piperidine
SMILESO=S(=O)(c1ccc(N2CCCCC2)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-6-4-10(5-7-11)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2
InChIKeyQOBZVDJCQQHKLT-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine?
The IUPAC name of 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine (CID 890409) is 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine.
What is the SMILES notation for 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine?
The canonical SMILES for 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine is O=S(=O)(c1ccc(N2CCCCC2)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine?
The InChIKey is QOBZVDJCQQHKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-6-4-10(5-7-11)16-8-2-1-3-9-16/h4-7H,1-3,8-9H2.
What are the key properties of 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine?
1-[4-(trifluoromethylsulfonyl)phenyl]piperidine has a molecular weight of 293.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethylsulfonyl)phenyl]piperidine is sourced from PubChem (CID 890409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).