5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine

C16H25NO — CID 23240084

IUPAC5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine
SMILESCC(C)(C)c1ccc(C2CCC(C)(C)N2O)cc1
InChIInChI=1S/C16H25NO/c1-15(2,3)13-8-6-12(7-9-13)14-10-11-16(4,5)17(14)18/h6-9,14,18H,10-11H2,1-5H3
InChIKeyKQAMTXQBCNYKNJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.29
Rot. Bonds1

About 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine

5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine (PubChem CID 23240084) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine
PubChem CID23240084
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine
SMILESCC(C)(C)c1ccc(C2CCC(C)(C)N2O)cc1
InChIInChI=1S/C16H25NO/c1-15(2,3)13-8-6-12(7-9-13)14-10-11-16(4,5)17(14)18/h6-9,14,18H,10-11H2,1-5H3
InChIKeyKQAMTXQBCNYKNJ-UHFFFAOYSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine?
The IUPAC name of 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine (CID 23240084) is 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine is CC(C)(C)c1ccc(C2CCC(C)(C)N2O)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine?
The InChIKey is KQAMTXQBCNYKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)13-8-6-12(7-9-13)14-10-11-16(4,5)17(14)18/h6-9,14,18H,10-11H2,1-5H3.
What are the key properties of 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine?
5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine is sourced from PubChem (CID 23240084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).