4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol

C17H23F2NO — CID 143203274

IUPAC4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol
SMILESCc1c(F)cc(F)c2c1C(O)(C1CCNCC1)C(C)(C)C2
InChIInChI=1S/C17H23F2NO/c1-10-13(18)8-14(19)12-9-16(2,3)17(21,15(10)12)11-4-6-20-7-5-11/h8,11,20-21H,4-7,9H2,1-3H3
InChIKeyJHFBVCIUEUPOIS-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.04
Rot. Bonds1

About 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol

4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol (PubChem CID 143203274) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol.

Molecular Properties

Compound Name4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol
PubChem CID143203274
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol
SMILESCc1c(F)cc(F)c2c1C(O)(C1CCNCC1)C(C)(C)C2
InChIInChI=1S/C17H23F2NO/c1-10-13(18)8-14(19)12-9-16(2,3)17(21,15(10)12)11-4-6-20-7-5-11/h8,11,20-21H,4-7,9H2,1-3H3
InChIKeyJHFBVCIUEUPOIS-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol with MolForge

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Related Compounds

6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356
6-Fluoro-3-(4'-fluorophenyl)-3-hydroxy-1-(1-methyl-4-piperidyl)indane
CID 20277028
6-Fluoro-3-(4-fluorophenyl)-1-piperidin-4-yl-2,3-dihydroinden-1-ol
CID 20277030
3-(4-Fluorophenyl)-1-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 20277036
6-fluoro-3-(4-fluorophenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydroinden-1-ol
CID 20277037
3-(4-Fluorophenyl)-6-methyl-1-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-ol
CID 20277039
6-Fluoro-3-(4'-fluorophenyl)-1-hydroxy-1-(1-methyl-4-piperidyl)-indane
CID 20277052
4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol
CID 58950900
4-Fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol
CID 58950921
4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-[4-(trifluoromethyl)phenyl]-3H-inden-1-ol
CID 58950951
5,6-difluoro-7-(methoxymethyl)-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950977
4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950999

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol?
The IUPAC name of 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol (CID 143203274) is 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol.
What is the SMILES notation for 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol?
The canonical SMILES for 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol is Cc1c(F)cc(F)c2c1C(O)(C1CCNCC1)C(C)(C)C2.
What is the InChIKey of 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol?
The InChIKey is JHFBVCIUEUPOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-10-13(18)8-14(19)12-9-16(2,3)17(21,15(10)12)11-4-6-20-7-5-11/h8,11,20-21H,4-7,9H2,1-3H3.
What are the key properties of 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol?
4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol has a molecular weight of 295.37 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,2,7-trimethyl-1-piperidin-4-yl-3H-inden-1-ol is sourced from PubChem (CID 143203274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).