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

C18H25BrFNO — CID 58950988

IUPAC7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol
SMILESCN1CCC(C)(C2(O)c3c(ccc(F)c3Br)CC2(C)C)CC1
InChIInChI=1S/C18H25BrFNO/c1-16(2)11-12-5-6-13(20)15(19)14(12)18(16,22)17(3)7-9-21(4)10-8-17/h5-6,22H,7-11H2,1-4H3
InChIKeyGNJFYBUSGCUQFE-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.09
Rot. Bonds1

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

7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol (PubChem CID 58950988) has the molecular formula C18H25BrFNO and a molecular weight of 370.31 g/mol. Its IUPAC name is 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol.

Molecular Properties

Compound Name7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol
PubChem CID58950988
Molecular FormulaC18H25BrFNO
Molecular Weight370.31 g/mol
Exact Mass369.11
IUPAC Name7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol
SMILESCN1CCC(C)(C2(O)c3c(ccc(F)c3Br)CC2(C)C)CC1
InChIInChI=1S/C18H25BrFNO/c1-16(2)11-12-5-6-13(20)15(19)14(12)18(16,22)17(3)7-9-21(4)10-8-17/h5-6,22H,7-11H2,1-4H3
InChIKeyGNJFYBUSGCUQFE-UHFFFAOYSA-N
XLogP4.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol?
The IUPAC name of 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol (CID 58950988) is 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol.
What is the SMILES notation for 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol?
The canonical SMILES for 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol is CN1CCC(C)(C2(O)c3c(ccc(F)c3Br)CC2(C)C)CC1.
What is the InChIKey of 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol?
The InChIKey is GNJFYBUSGCUQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFNO/c1-16(2)11-12-5-6-13(20)15(19)14(12)18(16,22)17(3)7-9-21(4)10-8-17/h5-6,22H,7-11H2,1-4H3.
What are the key properties of 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol?
7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol has a molecular weight of 370.31 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol is sourced from PubChem (CID 58950988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).