5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol

C19H26F3NO2 — CID 71171891

IUPAC5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol
SMILESCOc1cc2c(c(C(F)(F)F)c1)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H26F3NO2/c1-17(2)11-12-9-14(25-4)10-15(19(20,21)22)16(12)18(17,24)13-5-7-23(3)8-6-13/h9-10,13,24H,5-8,11H2,1-4H3
InChIKeyYFZZHLORQVSGRU-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.83
Rot. Bonds2

About 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol

5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol (PubChem CID 71171891) has the molecular formula C19H26F3NO2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol
PubChem CID71171891
Molecular FormulaC19H26F3NO2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol
SMILESCOc1cc2c(c(C(F)(F)F)c1)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H26F3NO2/c1-17(2)11-12-9-14(25-4)10-15(19(20,21)22)16(12)18(17,24)13-5-7-23(3)8-6-13/h9-10,13,24H,5-8,11H2,1-4H3
InChIKeyYFZZHLORQVSGRU-UHFFFAOYSA-N
XLogP3.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol?
The IUPAC name of 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol (CID 71171891) is 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol?
The canonical SMILES for 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol is COc1cc2c(c(C(F)(F)F)c1)C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol?
The InChIKey is YFZZHLORQVSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO2/c1-17(2)11-12-9-14(25-4)10-15(19(20,21)22)16(12)18(17,24)13-5-7-23(3)8-6-13/h9-10,13,24H,5-8,11H2,1-4H3.
What are the key properties of 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol?
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol has a molecular weight of 357.42 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol is sourced from PubChem (CID 71171891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).