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

C17H23Cl2NO — CID 58950978

IUPAC5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3cc(Cl)c(Cl)cc3CC2(C)C)CC1
InChIInChI=1S/C17H23Cl2NO/c1-16(2)10-11-8-14(18)15(19)9-13(11)17(16,21)12-4-6-20(3)7-5-12/h8-9,12,21H,4-7,10H2,1-3H3
InChIKeyGMXUMUVRXCCWGB-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.11
Rot. Bonds1

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

5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58950978) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58950978
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3cc(Cl)c(Cl)cc3CC2(C)C)CC1
InChIInChI=1S/C17H23Cl2NO/c1-16(2)10-11-8-14(18)15(19)9-13(11)17(16,21)12-4-6-20(3)7-5-12/h8-9,12,21H,4-7,10H2,1-3H3
InChIKeyGMXUMUVRXCCWGB-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950985
6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950918
4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950909
7-ethyl-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 69351084
7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951058
4,7-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951140
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol
CID 71171891
4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951210
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951100
3-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 151219717
7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951028
2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951018

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58950978) is 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is CN1CCC(C2(O)c3cc(Cl)c(Cl)cc3CC2(C)C)CC1.
What is the InChIKey of 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is GMXUMUVRXCCWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-16(2)10-11-8-14(18)15(19)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 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 328.28 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58950978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).