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

C18H26FNO2 — CID 58951058

IUPAC7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1ccc2c(c1F)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H26FNO2/c1-17(2)11-12-5-6-14(22-4)16(19)15(12)18(17,21)13-7-9-20(3)10-8-13/h5-6,13,21H,7-11H2,1-4H3
InChIKeyHLLGUPIINCFQGG-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.95
Rot. Bonds2

About 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58951058) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58951058
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1ccc2c(c1F)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H26FNO2/c1-17(2)11-12-5-6-14(22-4)16(19)15(12)18(17,21)13-7-9-20(3)10-8-13/h5-6,13,21H,7-11H2,1-4H3
InChIKeyHLLGUPIINCFQGG-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 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58951058) is 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is COc1ccc2c(c1F)C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is HLLGUPIINCFQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-17(2)11-12-5-6-14(22-4)16(19)15(12)18(17,21)13-7-9-20(3)10-8-13/h5-6,13,21H,7-11H2,1-4H3.
What are the key properties of 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
7-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 7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58951058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).