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

C17H23BrFNO — CID 58951122

IUPAC6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3c(ccc(Br)c3F)CC2(C)C)CC1
InChIInChI=1S/C17H23BrFNO/c1-16(2)10-11-4-5-13(18)15(19)14(11)17(16,21)12-6-8-20(3)9-7-12/h4-5,12,21H,6-10H2,1-3H3
InChIKeyVKJIMKMMRTWTKY-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.70
Rot. Bonds1

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

6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58951122) has the molecular formula C17H23BrFNO and a molecular weight of 356.28 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58951122
Molecular FormulaC17H23BrFNO
Molecular Weight356.28 g/mol
Exact Mass355.09
IUPAC Name6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3c(ccc(Br)c3F)CC2(C)C)CC1
InChIInChI=1S/C17H23BrFNO/c1-16(2)10-11-4-5-13(18)15(19)14(11)17(16,21)12-6-8-20(3)9-7-12/h4-5,12,21H,6-10H2,1-3H3
InChIKeyVKJIMKMMRTWTKY-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58951122) is 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is CN1CCC(C2(O)c3c(ccc(Br)c3F)CC2(C)C)CC1.
What is the InChIKey of 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is VKJIMKMMRTWTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFNO/c1-16(2)10-11-4-5-13(18)15(19)14(11)17(16,21)12-6-8-20(3)9-7-12/h4-5,12,21H,6-10H2,1-3H3.
What are the key properties of 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 356.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58951122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).