5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

C19H27F2NO2 — CID 58950977

IUPAC5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOCc1c(F)c(F)cc2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H27F2NO2/c1-18(2)10-12-9-15(20)17(21)14(11-24-4)16(12)19(18,23)13-5-7-22(3)8-6-13/h9,13,23H,5-8,10-11H2,1-4H3
InChIKeyRUJDGDDXZMDQPZ-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.22
Rot. Bonds3

About 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58950977) has the molecular formula C19H27F2NO2 and a molecular weight of 339.43 g/mol. Its IUPAC name is 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58950977
Molecular FormulaC19H27F2NO2
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Name5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOCc1c(F)c(F)cc2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H27F2NO2/c1-18(2)10-12-9-15(20)17(21)14(11-24-4)16(12)19(18,23)13-5-7-22(3)8-6-13/h9,13,23H,5-8,10-11H2,1-4H3
InChIKeyRUJDGDDXZMDQPZ-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol with MolForge

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Related Compounds

5,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11508115
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356
4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11659535
6-Fluoro-3-(4'-fluorophenyl)-3-hydroxy-1-(1-methyl-4-piperidyl)indane
CID 20277028
3-(4-Fluorophenyl)-1-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 20277036
3-(4-Fluorophenyl)-6-methyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-ol
CID 20277039
3-(4-Fluorophenyl)-1-[1-(1-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol
CID 20277041
6-Fluoro-3-(4'-fluorophenyl)-1-hydroxy-1-(1-methyl-4-piperidyl)-indane
CID 20277052
6-Fluoro-3-(4-fluorophenyl)-1-[1-(1-hydroxyethyl)piperidin-4-yl]-2,3-dihydroinden-1-ol
CID 20277053
3-(4-Fluorophenyl)-1-[1-(1-hydroxyethyl)piperidin-4-yl]-6-propan-2-yl-2,3-dihydroinden-1-ol
CID 20277056
6-Fluoro-3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-2,3-dihydroinden-1-ol
CID 53965116
3-(4-Fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol
CID 54065566

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58950977) is 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is COCc1c(F)c(F)cc2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is RUJDGDDXZMDQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO2/c1-18(2)10-12-9-15(20)17(21)14(11-24-4)16(12)19(18,23)13-5-7-22(3)8-6-13/h9,13,23H,5-8,10-11H2,1-4H3.
What are the key properties of 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 339.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58950977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).