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

C13H16F3NO3S — CID 56796829

IUPAC[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
SMILESO=S(=O)(c1ccccc1N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)21(19,20)12-4-2-1-3-11(12)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2
InChIKeyUFWQLNKTUFXPQV-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.19
Rot. Bonds3

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

[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol (PubChem CID 56796829) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
PubChem CID56796829
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
SMILESO=S(=O)(c1ccccc1N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO3S/c14-13(15,16)21(19,20)12-4-2-1-3-11(12)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2
InChIKeyUFWQLNKTUFXPQV-UHFFFAOYSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidin-3-ol
CID 55132124
N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
CID 61146535
3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
4-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 80703033
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
3-bromo-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine
CID 80673575
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide
CID 49431253
1-morpholin-4-yl-2-[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]ethane-1,2-dione
CID 55635933
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylphenol
CID 81241911
[(3S)-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-3-yl]methanol
CID 95697257

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol (CID 56796829) is [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol is O=S(=O)(c1ccccc1N1CCC(CO)CC1)C(F)(F)F.
What is the InChIKey of [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol?
The InChIKey is UFWQLNKTUFXPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c14-13(15,16)21(19,20)12-4-2-1-3-11(12)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2.
What are the key properties of [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol?
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol has a molecular weight of 323.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56796829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).