1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol

C14H16F3N3O3S — CID 126622697

IUPAC1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(N1CCC(C(O)c2ccc3[nH]ncc3c2)CC1)C(F)(F)F
InChIInChI=1S/C14H16F3N3O3S/c15-14(16,17)24(22,23)20-5-3-9(4-6-20)13(21)10-1-2-12-11(7-10)8-18-19-12/h1-2,7-9,13,21H,3-6H2,(H,18,19)
InChIKeyKPEUBAJCGXBEMO-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.16
Rot. Bonds3

About 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol

1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol (PubChem CID 126622697) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol
PubChem CID126622697
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(N1CCC(C(O)c2ccc3[nH]ncc3c2)CC1)C(F)(F)F
InChIInChI=1S/C14H16F3N3O3S/c15-14(16,17)24(22,23)20-5-3-9(4-6-20)13(21)10-1-2-12-11(7-10)8-18-19-12/h1-2,7-9,13,21H,3-6H2,(H,18,19)
InChIKeyKPEUBAJCGXBEMO-UHFFFAOYSA-N
XLogP2.16
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1H-indazol-5-yl)methanol
CID 1514190
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 51104529
NMDA receptor antagonist 7
CID 168510347
NMDA receptor antagonist 8
CID 168510348
3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-(1H-indazol-5-yl)propan-1-ol
CID 172450694
3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-(1H-indazol-5-yl)propan-1-ol
CID 172453666
3-(4-benzylpiperidin-1-yl)-1-(1H-indazol-5-yl)propan-1-ol
CID 172466046
(1S,2S)-2-(4-benzylpiperidin-1-yl)-1-(1H-indazol-5-yl)propan-1-ol
CID 178295231
(1S,2R)-3-(4-benzylpiperidin-1-yl)-1-(1H-indazol-5-yl)-2-methylpropan-1-ol
CID 178295778
(1S,2S)-3-(4-benzylpiperidin-1-yl)-1-(1H-indazol-5-yl)-2-methylpropan-1-ol
CID 178296770
(1R,2R)-3-(4-benzylpiperidin-1-yl)-1-(1H-indazol-5-yl)-2-methylpropan-1-ol
CID 178297154
(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-(1H-indazol-5-yl)propan-1-ol
CID 178300460

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol?
The IUPAC name of 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol (CID 126622697) is 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol.
What is the SMILES notation for 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol?
The canonical SMILES for 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol is O=S(=O)(N1CCC(C(O)c2ccc3[nH]ncc3c2)CC1)C(F)(F)F.
What is the InChIKey of 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol?
The InChIKey is KPEUBAJCGXBEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c15-14(16,17)24(22,23)20-5-3-9(4-6-20)13(21)10-1-2-12-11(7-10)8-18-19-12/h1-2,7-9,13,21H,3-6H2,(H,18,19).
What are the key properties of 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol?
1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol has a molecular weight of 363.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-yl-[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol is sourced from PubChem (CID 126622697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).