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

C18H25F2NO2 — CID 58951210

IUPAC4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H25F2NO2/c1-17(2)10-12-13(19)9-14(20)16(23-4)15(12)18(17,22)11-5-7-21(3)8-6-11/h9,11,22H,5-8,10H2,1-4H3
InChIKeyZONQMBYUIACGKO-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.09
Rot. Bonds2

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

4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58951210) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58951210
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Name4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H25F2NO2/c1-17(2)10-12-13(19)9-14(20)16(23-4)15(12)18(17,22)11-5-7-21(3)8-6-11/h9,11,22H,5-8,10H2,1-4H3
InChIKeyZONQMBYUIACGKO-UHFFFAOYSA-N
XLogP3.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58951210) is 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is COc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is ZONQMBYUIACGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2/c1-17(2)10-12-13(19)9-14(20)16(23-4)15(12)18(17,22)11-5-7-21(3)8-6-11/h9,11,22H,5-8,10H2,1-4H3.
What are the key properties of 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 325.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58951210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).