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

C18H25BrFNO — CID 58950941

IUPAC4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1c(F)cc(Br)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H25BrFNO/c1-11-15(20)9-14(19)13-10-17(2,3)18(22,16(11)13)12-5-7-21(4)8-6-12/h9,12,22H,5-8,10H2,1-4H3
InChIKeySHJUZLZVKGJDTO-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.01
Rot. Bonds1

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

4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58950941) has the molecular formula C18H25BrFNO and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58950941
Molecular FormulaC18H25BrFNO
Molecular Weight370.31 g/mol
Exact Mass369.11
IUPAC Name4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1c(F)cc(Br)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H25BrFNO/c1-11-15(20)9-14(19)13-10-17(2,3)18(22,16(11)13)12-5-7-21(4)8-6-12/h9,12,22H,5-8,10H2,1-4H3
InChIKeySHJUZLZVKGJDTO-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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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-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950913
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-6,7-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-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58950941) is 4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is Cc1c(F)cc(Br)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is SHJUZLZVKGJDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFNO/c1-11-15(20)9-14(19)13-10-17(2,3)18(22,16(11)13)12-5-7-21(4)8-6-12/h9,12,22H,5-8,10H2,1-4H3.
What are the key properties of 4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
4-bromo-6-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 370.31 g/mol, XLogP of 4.01, 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-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58950941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).