8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol

C18H25BrFNO — CID 58950910

IUPAC8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
SMILESCN1CCC(C2(O)c3c(Br)ccc(F)c3CCC2(C)C)CC1
InChIInChI=1S/C18H25BrFNO/c1-17(2)9-6-13-15(20)5-4-14(19)16(13)18(17,22)12-7-10-21(3)11-8-12/h4-5,12,22H,6-11H2,1-3H3
InChIKeyLIZJUJMDFHJEAE-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.09
Rot. Bonds1

About 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol

8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol (PubChem CID 58950910) has the molecular formula C18H25BrFNO and a molecular weight of 370.31 g/mol. Its IUPAC name is 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
PubChem CID58950910
Molecular FormulaC18H25BrFNO
Molecular Weight370.31 g/mol
Exact Mass369.11
IUPAC Name8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
SMILESCN1CCC(C2(O)c3c(Br)ccc(F)c3CCC2(C)C)CC1
InChIInChI=1S/C18H25BrFNO/c1-17(2)9-6-13-15(20)5-4-14(19)16(13)18(17,22)12-7-10-21(3)11-8-12/h4-5,12,22H,6-11H2,1-3H3
InChIKeyLIZJUJMDFHJEAE-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 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The IUPAC name of 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol (CID 58950910) is 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol.
What is the SMILES notation for 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The canonical SMILES for 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol is CN1CCC(C2(O)c3c(Br)ccc(F)c3CCC2(C)C)CC1.
What is the InChIKey of 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The InChIKey is LIZJUJMDFHJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFNO/c1-17(2)9-6-13-15(20)5-4-14(19)16(13)18(17,22)12-7-10-21(3)11-8-12/h4-5,12,22H,6-11H2,1-3H3.
What are the key properties of 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-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 8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol is sourced from PubChem (CID 58950910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).