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

C13H27NO — CID 59748899

IUPAC4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H27NO/c1-11(2,3)10-8-12(4,5)14(15)13(6,7)9-10/h10,15H,8-9H2,1-7H3
InChIKeyQNBHPYKFEABPEK-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.69
Rot. Bonds

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

4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 59748899) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID59748899
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H27NO/c1-11(2,3)10-8-12(4,5)14(15)13(6,7)9-10/h10,15H,8-9H2,1-7H3
InChIKeyQNBHPYKFEABPEK-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 59748899) is 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine is CC(C)(C)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is QNBHPYKFEABPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2,3)10-8-12(4,5)14(15)13(6,7)9-10/h10,15H,8-9H2,1-7H3.
What are the key properties of 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 213.36 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 59748899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).