1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol

C17H31NO — CID 150136506

IUPAC1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)(C)C1C=CC1N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C17H31NO/c1-15(2,3)13-8-9-14(13)18-16(4,5)10-12(19)11-17(18,6)7/h8-9,12-14,19H,10-11H2,1-7H3
InChIKeyFCIZHQIOFAIPTE-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.60
Rot. Bonds1

About 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol

1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 150136506) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID150136506
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)(C)C1C=CC1N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C17H31NO/c1-15(2,3)13-8-9-14(13)18-16(4,5)10-12(19)11-17(18,6)7/h8-9,12-14,19H,10-11H2,1-7H3
InChIKeyFCIZHQIOFAIPTE-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.60
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 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol (CID 150136506) is 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol is CC(C)(C)C1C=CC1N1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is FCIZHQIOFAIPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2,3)13-8-9-14(13)18-16(4,5)10-12(19)11-17(18,6)7/h8-9,12-14,19H,10-11H2,1-7H3.
What are the key properties of 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol?
1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 265.44 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclobut-2-en-1-yl)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 150136506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).