4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol

C20H28FNO — CID 58951027

IUPAC4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol
SMILESCN1CCC(C2(O)c3c(c(F)cc4c3CCC4)CC2(C)C)CC1
InChIInChI=1S/C20H28FNO/c1-19(2)12-16-17(21)11-13-5-4-6-15(13)18(16)20(19,23)14-7-9-22(3)10-8-14/h11,14,23H,4-10,12H2,1-3H3
InChIKeySIBMKKDGXODIJX-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.43
Rot. Bonds1

About 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol

4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol (PubChem CID 58951027) has the molecular formula C20H28FNO and a molecular weight of 317.45 g/mol. Its IUPAC name is 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol.

Molecular Properties

Compound Name4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol
PubChem CID58951027
Molecular FormulaC20H28FNO
Molecular Weight317.45 g/mol
Exact Mass317.22
IUPAC Name4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol
SMILESCN1CCC(C2(O)c3c(c(F)cc4c3CCC4)CC2(C)C)CC1
InChIInChI=1S/C20H28FNO/c1-19(2)12-16-17(21)11-13-5-4-6-15(13)18(16)20(19,23)14-7-9-22(3)10-8-14/h11,14,23H,4-10,12H2,1-3H3
InChIKeySIBMKKDGXODIJX-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol with MolForge

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Related Compounds

1-Indanol, 3-(1-methyl-4-piperidyl)-1-phenyl-
CID 210019
4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol
CID 3148591
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
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
3-(4-Fluorophenyl)-1-[1-(1-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol
CID 20277041

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol?
The IUPAC name of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol (CID 58951027) is 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol.
What is the SMILES notation for 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol?
The canonical SMILES for 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol is CN1CCC(C2(O)c3c(c(F)cc4c3CCC4)CC2(C)C)CC1.
What is the InChIKey of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol?
The InChIKey is SIBMKKDGXODIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO/c1-19(2)12-16-17(21)11-13-5-4-6-15(13)18(16)20(19,23)14-7-9-22(3)10-8-14/h11,14,23H,4-10,12H2,1-3H3.
What are the key properties of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol?
4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol has a molecular weight of 317.45 g/mol, XLogP of 3.43, 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-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol is sourced from PubChem (CID 58951027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).