2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol

C12H21NO — CID 141374624

IUPAC2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol
SMILESC=CCN1C(C)(C)C=C(O)CC1(C)C
InChIInChI=1S/C12H21NO/c1-6-7-13-11(2,3)8-10(14)9-12(13,4)5/h6,8,14H,1,7,9H2,2-5H3
InChIKeyCNOAWHDTHVGBSY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.88
Rot. Bonds2

About 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol

2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol (PubChem CID 141374624) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol
PubChem CID141374624
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol
SMILESC=CCN1C(C)(C)C=C(O)CC1(C)C
InChIInChI=1S/C12H21NO/c1-6-7-13-11(2,3)8-10(14)9-12(13,4)5/h6,8,14H,1,7,9H2,2-5H3
InChIKeyCNOAWHDTHVGBSY-UHFFFAOYSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-2,2,6,6-tetramethyl-3H-pyridin-4-ol
CID 20148819
1,2,2,6,6-pentamethyl-3H-pyridin-4-ol
CID 22335782
1-(5,5-dimethylhex-2-enyl)-2,2,6,6-tetramethyl-3H-pyridin-4-ol
CID 141457262
6-(Diethylaminomethyl)-6-methylcyclohexa-1,3-dien-1-ol
CID 174906644
1-(hydroxymethyl)-2,2,6,6-tetramethyl-3H-pyridin-4-ol
CID 175054900
2-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-ol
CID 176920906

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol (CID 141374624) is 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol is C=CCN1C(C)(C)C=C(O)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol?
The InChIKey is CNOAWHDTHVGBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7-13-11(2,3)8-10(14)9-12(13,4)5/h6,8,14H,1,7,9H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol?
2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol has a molecular weight of 195.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-prop-2-enyl-3H-pyridin-4-ol is sourced from PubChem (CID 141374624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).