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

C18H27NO2 — CID 58950918

IUPAC6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H27NO2/c1-17(2)12-13-5-6-15(21-4)11-16(13)18(17,20)14-7-9-19(3)10-8-14/h5-6,11,14,20H,7-10,12H2,1-4H3
InChIKeyCDDUNQWEZXZPBW-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.81
Rot. Bonds2

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

6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58950918) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58950918
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1ccc2c(c1)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H27NO2/c1-17(2)12-13-5-6-15(21-4)11-16(13)18(17,20)14-7-9-19(3)10-8-14/h5-6,11,14,20H,7-10,12H2,1-4H3
InChIKeyCDDUNQWEZXZPBW-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950985
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338
5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole
CID 169244448
7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951058
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)-3H-inden-1-ol
CID 71171891
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951100
4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951210
4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol
CID 90123000
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
CID 62976703
4,7-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951140
4-fluoro-6-isocyano-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951142

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58950918) is 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is COc1ccc2c(c1)C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is CDDUNQWEZXZPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2)12-13-5-6-15(21-4)11-16(13)18(17,20)14-7-9-19(3)10-8-14/h5-6,11,14,20H,7-10,12H2,1-4H3.
What are the key properties of 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58950918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).