2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol

C19H33NO — CID 58951127

IUPAC2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol
SMILESCN1CCC(C2(O)C3=C(CCC(C)(C)C3)CC2(C)C)CC1
InChIInChI=1S/C19H33NO/c1-17(2)9-6-14-12-18(3,4)19(21,16(14)13-17)15-7-10-20(5)11-8-15/h15,21H,6-13H2,1-5H3
InChIKeyDQUPTUNBWJHDJC-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.00
Rot. Bonds1

About 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol

2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol (PubChem CID 58951127) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol
PubChem CID58951127
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol
SMILESCN1CCC(C2(O)C3=C(CCC(C)(C)C3)CC2(C)C)CC1
InChIInChI=1S/C19H33NO/c1-17(2)9-6-14-12-18(3,4)19(21,16(14)13-17)15-7-10-20(5)11-8-15/h15,21H,6-13H2,1-5H3
InChIKeyDQUPTUNBWJHDJC-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol?
The IUPAC name of 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol (CID 58951127) is 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol is CN1CCC(C2(O)C3=C(CCC(C)(C)C3)CC2(C)C)CC1.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol?
The InChIKey is DQUPTUNBWJHDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-17(2)9-6-14-12-18(3,4)19(21,16(14)13-17)15-7-10-20(5)11-8-15/h15,21H,6-13H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol?
2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol is sourced from PubChem (CID 58951127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).