4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol

C20H19F3N2OS — CID 67275712

IUPAC4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol
SMILESOc1ccc(N2CCC(Cc3cccc(C(F)(F)F)c3)CC2)c2ncsc12
InChIInChI=1S/C20H19F3N2OS/c21-20(22,23)15-3-1-2-14(11-15)10-13-6-8-25(9-7-13)16-4-5-17(26)19-18(16)24-12-27-19/h1-5,11-13,26H,6-10H2
InChIKeyLCPCNNNRZPGYFQ-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.48
Rot. Bonds3

About 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol

4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol (PubChem CID 67275712) has the molecular formula C20H19F3N2OS and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol
PubChem CID67275712
Molecular FormulaC20H19F3N2OS
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol
SMILESOc1ccc(N2CCC(Cc3cccc(C(F)(F)F)c3)CC2)c2ncsc12
InChIInChI=1S/C20H19F3N2OS/c21-20(22,23)15-3-1-2-14(11-15)10-13-6-8-25(9-7-13)16-4-5-17(26)19-18(16)24-12-27-19/h1-5,11-13,26H,6-10H2
InChIKeyLCPCNNNRZPGYFQ-UHFFFAOYSA-N
XLogP5.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazole
CID 174513014
3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 28818263
2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67275277
1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
CID 86203773
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42751508
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
tert-butyl N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 68902335
2-[[1-(2-fluorophenyl)piperidin-4-yl]-[[3-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 110161347
2-(4-benzylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 5199983
3-fluoro-4-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]aniline
CID 118164758

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol?
The IUPAC name of 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol (CID 67275712) is 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol.
What is the SMILES notation for 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol?
The canonical SMILES for 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol is Oc1ccc(N2CCC(Cc3cccc(C(F)(F)F)c3)CC2)c2ncsc12.
What is the InChIKey of 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol?
The InChIKey is LCPCNNNRZPGYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2OS/c21-20(22,23)15-3-1-2-14(11-15)10-13-6-8-25(9-7-13)16-4-5-17(26)19-18(16)24-12-27-19/h1-5,11-13,26H,6-10H2.
What are the key properties of 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol?
4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol has a molecular weight of 392.45 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-7-ol is sourced from PubChem (CID 67275712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).