4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C16H28N2O — CID 91453919

IUPAC4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCc1ccc(C)n1CC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C16H28N2O/c1-12-7-8-13(2)17(12)11-14-9-15(3,4)18(19)16(5,6)10-14/h7-8,14,19H,9-11H2,1-6H3
InChIKeyAJWGZTGQKXOFPP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.76
Rot. Bonds2

About 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 91453919) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID91453919
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCc1ccc(C)n1CC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C16H28N2O/c1-12-7-8-13(2)17(12)11-14-9-15(3,4)18(19)16(5,6)10-14/h7-8,14,19H,9-11H2,1-6H3
InChIKeyAJWGZTGQKXOFPP-UHFFFAOYSA-N
XLogP3.76
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 91453919) is 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is Cc1ccc(C)n1CC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is AJWGZTGQKXOFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-7-8-13(2)17(12)11-14-9-15(3,4)18(19)16(5,6)10-14/h7-8,14,19H,9-11H2,1-6H3.
What are the key properties of 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 264.41 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 91453919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).