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

C18H25F2NO — CID 58951002

IUPAC4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H25F2NO/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
InChIKeyCZMONHGNUYNINU-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.38
Rot. Bonds1

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

4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58951002) has the molecular formula C18H25F2NO and a molecular weight of 309.40 g/mol. Its IUPAC name is 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58951002
Molecular FormulaC18H25F2NO
Molecular Weight309.40 g/mol
Exact Mass309.19
IUPAC Name4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H25F2NO/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
InChIKeyCZMONHGNUYNINU-UHFFFAOYSA-N
XLogP3.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-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-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11631765
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
6-Fluoro-3-(4-fluorophenyl)-1-piperidin-4-yl-2,3-dihydroinden-1-ol
CID 20277030
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

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58951002) is 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is Cc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is CZMONHGNUYNINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO/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 4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 309.40 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 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-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58951002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).