4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol

C21H28FNO — CID 58950921

IUPAC4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol
SMILESCC1=CCc2cc(F)c3c(c21)C(O)(C1CCN(C)CC1)C(C)(C)C3
InChIInChI=1S/C21H28FNO/c1-13-5-6-14-11-17(22)16-12-20(2,3)21(24,19(16)18(13)14)15-7-9-23(4)10-8-15/h5,11,15,24H,6-10,12H2,1-4H3
InChIKeyOPCWSWMIGFXCSB-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.90
Rot. Bonds1

About 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol

4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol (PubChem CID 58950921) has the molecular formula C21H28FNO and a molecular weight of 329.46 g/mol. Its IUPAC name is 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol.

Molecular Properties

Compound Name4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol
PubChem CID58950921
Molecular FormulaC21H28FNO
Molecular Weight329.46 g/mol
Exact Mass329.22
IUPAC Name4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol
SMILESCC1=CCc2cc(F)c3c(c21)C(O)(C1CCN(C)CC1)C(C)(C)C3
InChIInChI=1S/C21H28FNO/c1-13-5-6-14-11-17(22)16-12-20(2,3)21(24,19(16)18(13)14)15-7-9-23(4)10-8-15/h5,11,15,24H,6-10,12H2,1-4H3
InChIKeyOPCWSWMIGFXCSB-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol with MolForge

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Related Compounds

1-Indanol, 2-(1-methyl-4-piperidyl)-1-phenyl-
CID 210017
1-Indanol, 3-(1-methyl-4-piperidyl)-1-phenyl-
CID 210019
1-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol
CID 10268792
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-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11638985
6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11674012
6-Fluoro-3-(4'-fluorophenyl)-3-hydroxy-1-(1-methyl-4-piperidyl)indane
CID 20277028
1-(4-fluorophenyl)-5-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydroinden-1-ol
CID 20277032
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol?
The IUPAC name of 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol (CID 58950921) is 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol.
What is the SMILES notation for 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol?
The canonical SMILES for 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol is CC1=CCc2cc(F)c3c(c21)C(O)(C1CCN(C)CC1)C(C)(C)C3.
What is the InChIKey of 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol?
The InChIKey is OPCWSWMIGFXCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO/c1-13-5-6-14-11-17(22)16-12-20(2,3)21(24,19(16)18(13)14)15-7-9-23(4)10-8-15/h5,11,15,24H,6-10,12H2,1-4H3.
What are the key properties of 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol?
4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol has a molecular weight of 329.46 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol is sourced from PubChem (CID 58950921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).