4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol

C24H27F4NO — CID 58950951

IUPAC4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3c(-c4ccc(C(F)(F)F)cc4)ccc(F)c3CC2(C)C)CC1
InChIInChI=1S/C24H27F4NO/c1-22(2)14-19-20(25)9-8-18(15-4-6-17(7-5-15)24(26,27)28)21(19)23(22,30)16-10-12-29(3)13-11-16/h4-9,16,30H,10-14H2,1-3H3
InChIKeyFGLNGQGOTMYIHW-UHFFFAOYSA-N
MW421.48 g/mol
LogP5.62
Rot. Bonds2

About 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol

4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol (PubChem CID 58950951) has the molecular formula C24H27F4NO and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol.

Molecular Properties

Compound Name4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol
PubChem CID58950951
Molecular FormulaC24H27F4NO
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3c(-c4ccc(C(F)(F)F)cc4)ccc(F)c3CC2(C)C)CC1
InChIInChI=1S/C24H27F4NO/c1-22(2)14-19-20(25)9-8-18(15-4-6-17(7-5-15)24(26,27)28)21(19)23(22,30)16-10-12-29(3)13-11-16/h4-9,16,30H,10-14H2,1-3H3
InChIKeyFGLNGQGOTMYIHW-UHFFFAOYSA-N
XLogP5.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol?
The IUPAC name of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol (CID 58950951) is 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol.
What is the SMILES notation for 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol?
The canonical SMILES for 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol is CN1CCC(C2(O)c3c(-c4ccc(C(F)(F)F)cc4)ccc(F)c3CC2(C)C)CC1.
What is the InChIKey of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol?
The InChIKey is FGLNGQGOTMYIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4NO/c1-22(2)14-19-20(25)9-8-18(15-4-6-17(7-5-15)24(26,27)28)21(19)23(22,30)16-10-12-29(3)13-11-16/h4-9,16,30H,10-14H2,1-3H3.
What are the key properties of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol?
4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol has a molecular weight of 421.48 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol is sourced from PubChem (CID 58950951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).