6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

C17H23ClFNO — CID 11674012

IUPAC6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3cc(Cl)c(F)cc3CC2(C)C)CC1
InChIInChI=1S/C17H23ClFNO/c1-16(2)10-11-8-15(19)14(18)9-13(11)17(16,21)12-4-6-20(3)7-5-12/h8-9,12,21H,4-7,10H2,1-3H3
InChIKeyXNDYJKNGVSXVAW-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.59
Rot. Bonds1

About 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 11674012) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID11674012
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3cc(Cl)c(F)cc3CC2(C)C)CC1
InChIInChI=1S/C17H23ClFNO/c1-16(2)10-11-8-15(19)14(18)9-13(11)17(16,21)12-4-6-20(3)7-5-12/h8-9,12,21H,4-7,10H2,1-3H3
InChIKeyXNDYJKNGVSXVAW-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(4-Chlorophenyl)-2-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 210018
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356
6-chloro-3-(4-fluorophenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydroinden-1-ol
CID 20277043
1-(2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl)-4-(4-fluorophenyl)piperidin-4-ol
CID 21480644
5-chloro-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950907
4-Fluoro-2,2,8-trimethyl-1-(1-methylpiperidin-4-yl)-3,6-dihydro-as-indacen-1-ol
CID 58950921
7-chloro-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950964
4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950999
4,6-difluoro-2,2,7-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951002
7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951011
4,5-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951015
4-Fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol
CID 58951027

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 11674012) is 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is CN1CCC(C2(O)c3cc(Cl)c(F)cc3CC2(C)C)CC1.
What is the InChIKey of 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is XNDYJKNGVSXVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c1-16(2)10-11-8-15(19)14(18)9-13(11)17(16,21)12-4-6-20(3)7-5-12/h8-9,12,21H,4-7,10H2,1-3H3.
What are the key properties of 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 311.83 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 11674012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).