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

C18H25BrFNO — CID 58950959

IUPAC6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1c(Br)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H25BrFNO/c1-11-14(19)9-15(20)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
InChIKeyQYXBVNBAGMJQQT-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.01
Rot. Bonds1

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

6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58950959) has the molecular formula C18H25BrFNO and a molecular weight of 370.31 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58950959
Molecular FormulaC18H25BrFNO
Molecular Weight370.31 g/mol
Exact Mass369.11
IUPAC Name6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1c(Br)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H25BrFNO/c1-11-14(19)9-15(20)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
InChIKeyQYXBVNBAGMJQQT-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 6-bromo-4-fluoro-2,2,7-trimethyl-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-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58950959) is 6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is Cc1c(Br)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is QYXBVNBAGMJQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFNO/c1-11-14(19)9-15(20)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 6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
6-bromo-4-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 6-bromo-4-fluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58950959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).