1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol

C13H21NO2 — CID 11204145

IUPAC1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cccc(CC(C)(C)O)n1
InChIInChI=1S/C13H21NO2/c1-12(2,15)8-10-6-5-7-11(14-10)9-13(3,4)16/h5-7,15-16H,8-9H2,1-4H3
InChIKeyNKXYTDMUEWQSLI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.71
Rot. Bonds4

About 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol

1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol (PubChem CID 11204145) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol
PubChem CID11204145
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cccc(CC(C)(C)O)n1
InChIInChI=1S/C13H21NO2/c1-12(2,15)8-10-6-5-7-11(14-10)9-13(3,4)16/h5-7,15-16H,8-9H2,1-4H3
InChIKeyNKXYTDMUEWQSLI-UHFFFAOYSA-N
XLogP1.71
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol (CID 11204145) is 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol is CC(C)(O)Cc1cccc(CC(C)(C)O)n1.
What is the InChIKey of 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol?
The InChIKey is NKXYTDMUEWQSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12(2,15)8-10-6-5-7-11(14-10)9-13(3,4)16/h5-7,15-16H,8-9H2,1-4H3.
What are the key properties of 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol?
1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol is sourced from PubChem (CID 11204145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).