[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol

C13H15F4NO3S — CID 95697257

IUPAC[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
SMILESO=S(=O)(c1cc(F)ccc1N1CCC[C@H](CO)C1)C(F)(F)F
InChIInChI=1S/C13H15F4NO3S/c14-10-3-4-11(18-5-1-2-9(7-18)8-19)12(6-10)22(20,21)13(15,16)17/h3-4,6,9,19H,1-2,5,7-8H2/t9-/m0/s1
InChIKeyQPQRRXGNOPVSIQ-VIFPVBQESA-N
MW341.33 g/mol
LogP2.33
Rot. Bonds3

About [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol

[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol (PubChem CID 95697257) has the molecular formula C13H15F4NO3S and a molecular weight of 341.33 g/mol. Its IUPAC name is [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
PubChem CID95697257
Molecular FormulaC13H15F4NO3S
Molecular Weight341.33 g/mol
Exact Mass341.07
IUPAC Name[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
SMILESO=S(=O)(c1cc(F)ccc1N1CCC[C@H](CO)C1)C(F)(F)F
InChIInChI=1S/C13H15F4NO3S/c14-10-3-4-11(18-5-1-2-9(7-18)8-19)12(6-10)22(20,21)13(15,16)17/h3-4,6,9,19H,1-2,5,7-8H2/t9-/m0/s1
InChIKeyQPQRRXGNOPVSIQ-VIFPVBQESA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-pyrrolidin-1-ylpiperidine
CID 133283522
1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine
CID 133283739
[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
CID 43590227
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
CID 133446523
4-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]pyrimidin-2-amine
CID 102563444
4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-1,4-thiazepane
CID 133283409
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066
N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide
CID 133284294
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-pyrazol-1-ylpiperidine
CID 133284456
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 56796829
3-bromo-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine
CID 80673575
3-fluoro-4-[3-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 43657969

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol (CID 95697257) is [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol is O=S(=O)(c1cc(F)ccc1N1CCC[C@H](CO)C1)C(F)(F)F.
What is the InChIKey of [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol?
The InChIKey is QPQRRXGNOPVSIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F4NO3S/c14-10-3-4-11(18-5-1-2-9(7-18)8-19)12(6-10)22(20,21)13(15,16)17/h3-4,6,9,19H,1-2,5,7-8H2/t9-/m0/s1.
What are the key properties of [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol?
[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol has a molecular weight of 341.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95697257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).