4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine

C17H35NO — CID 59748921

IUPAC4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(C(C)(C)C)(C(C)(C)C)CC(C)(C)N1O
InChIInChI=1S/C17H35NO/c1-13(2,3)17(14(4,5)6)11-15(7,8)18(19)16(9,10)12-17/h19H,11-12H2,1-10H3
InChIKeyCYCZPGJUKIRVMI-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.11
Rot. Bonds

About 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine

4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 59748921) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID59748921
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(C(C)(C)C)(C(C)(C)C)CC(C)(C)N1O
InChIInChI=1S/C17H35NO/c1-13(2,3)17(14(4,5)6)11-15(7,8)18(19)16(9,10)12-17/h19H,11-12H2,1-10H3
InChIKeyCYCZPGJUKIRVMI-UHFFFAOYSA-N
XLogP5.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 59748921) is 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine is CC1(C)CC(C(C)(C)C)(C(C)(C)C)CC(C)(C)N1O.
What is the InChIKey of 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is CYCZPGJUKIRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-13(2,3)17(14(4,5)6)11-15(7,8)18(19)16(9,10)12-17/h19H,11-12H2,1-10H3.
What are the key properties of 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 269.47 g/mol, XLogP of 5.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-ditert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 59748921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).