4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

C18H26FNO2 — CID 11659535

IUPAC4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1cc(F)c2c(c1)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H26FNO2/c1-17(2)11-14-15(9-13(22-4)10-16(14)19)18(17,21)12-5-7-20(3)8-6-12/h9-10,12,21H,5-8,11H2,1-4H3
InChIKeyDWYXRIBZBCRUHO-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.95
Rot. Bonds2

About 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 11659535) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID11659535
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1cc(F)c2c(c1)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H26FNO2/c1-17(2)11-14-15(9-13(22-4)10-16(14)19)18(17,21)12-5-7-20(3)8-6-12/h9-10,12,21H,5-8,11H2,1-4H3
InChIKeyDWYXRIBZBCRUHO-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 11659535) is 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is COc1cc(F)c2c(c1)C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is DWYXRIBZBCRUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-17(2)11-14-15(9-13(22-4)10-16(14)19)18(17,21)12-5-7-20(3)8-6-12/h9-10,12,21H,5-8,11H2,1-4H3.
What are the key properties of 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 307.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 11659535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).