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

C17H23BrFNO — CID 58950913

IUPAC4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3cc(F)cc(Br)c3CC2(C)C)CC1
InChIInChI=1S/C17H23BrFNO/c1-16(2)10-13-14(8-12(19)9-15(13)18)17(16,21)11-4-6-20(3)7-5-11/h8-9,11,21H,4-7,10H2,1-3H3
InChIKeyBCPIZJHMYCGCQS-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.70
Rot. Bonds1

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

4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58950913) has the molecular formula C17H23BrFNO and a molecular weight of 356.28 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58950913
Molecular FormulaC17H23BrFNO
Molecular Weight356.28 g/mol
Exact Mass355.09
IUPAC Name4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3cc(F)cc(Br)c3CC2(C)C)CC1
InChIInChI=1S/C17H23BrFNO/c1-16(2)10-13-14(8-12(19)9-15(13)18)17(16,21)11-4-6-20(3)7-5-11/h8-9,11,21H,4-7,10H2,1-3H3
InChIKeyBCPIZJHMYCGCQS-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

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Related Compounds

6-bromo-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11559480
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356
7-bromo-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11631765
7-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11638985
8-Bromo-7-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58950902
4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950909
8-Bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58950910
4-Fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol
CID 58950921
4,7-dibromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950923
4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950941
4-bromo-6,7-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950942
ethyl 4-(7-bromo-4-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate
CID 58950948

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58950913) is 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is CN1CCC(C2(O)c3cc(F)cc(Br)c3CC2(C)C)CC1.
What is the InChIKey of 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is BCPIZJHMYCGCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFNO/c1-16(2)10-13-14(8-12(19)9-15(13)18)17(16,21)11-4-6-20(3)7-5-11/h8-9,11,21H,4-7,10H2,1-3H3.
What are the key properties of 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
4-bromo-6-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 4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58950913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).