2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol

C21H33NO — CID 178102458

IUPAC2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1ccc2c(c1)C(O)(C1CC(C)N(C)C(C)C1)C(C)(C)C2C
InChIInChI=1S/C21H33NO/c1-13-8-9-18-16(4)20(5,6)21(23,19(18)10-13)17-11-14(2)22(7)15(3)12-17/h8-10,14-17,23H,11-12H2,1-7H3
InChIKeyDLOKMYMBWFDIIU-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.44
Rot. Bonds1

About 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol

2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 178102458) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID178102458
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol
SMILESCc1ccc2c(c1)C(O)(C1CC(C)N(C)C(C)C1)C(C)(C)C2C
InChIInChI=1S/C21H33NO/c1-13-8-9-18-16(4)20(5,6)21(23,19(18)10-13)17-11-14(2)22(7)15(3)12-17/h8-10,14-17,23H,11-12H2,1-7H3
InChIKeyDLOKMYMBWFDIIU-UHFFFAOYSA-N
XLogP4.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol (CID 178102458) is 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol is Cc1ccc2c(c1)C(O)(C1CC(C)N(C)C(C)C1)C(C)(C)C2C.
What is the InChIKey of 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is DLOKMYMBWFDIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-13-8-9-18-16(4)20(5,6)21(23,19(18)10-13)17-11-14(2)22(7)15(3)12-17/h8-10,14-17,23H,11-12H2,1-7H3.
What are the key properties of 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol?
2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 315.50 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,6-tetramethyl-1-(1,2,6-trimethylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 178102458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).