4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol

C12H19NO — CID 102262776

IUPAC4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol
SMILESCc1cc(CC(C)C(C)O)cc(C)n1
InChIInChI=1S/C12H19NO/c1-8(11(4)14)5-12-6-9(2)13-10(3)7-12/h6-8,11,14H,5H2,1-4H3
InChIKeyCWQSXSJVQLOSHN-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds3

About 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol

4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol (PubChem CID 102262776) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol
PubChem CID102262776
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol
SMILESCc1cc(CC(C)C(C)O)cc(C)n1
InChIInChI=1S/C12H19NO/c1-8(11(4)14)5-12-6-9(2)13-10(3)7-12/h6-8,11,14H,5H2,1-4H3
InChIKeyCWQSXSJVQLOSHN-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-(2-methylpropyl)pyridin-2-amine
CID 83694910
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol
CID 63201319
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane
CID 156850143
(2,6-dimethyl-4-pyridinyl)methanediol
CID 146515076
diethyl 2-[(2,6-dimethyl-4-pyridinyl)methyl]butanedioate
CID 14982438
1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol
CID 107502818
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848
2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502712

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol?
The IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol (CID 102262776) is 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol.
What is the SMILES notation for 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol?
The canonical SMILES for 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol is Cc1cc(CC(C)C(C)O)cc(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol?
The InChIKey is CWQSXSJVQLOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(11(4)14)5-12-6-9(2)13-10(3)7-12/h6-8,11,14H,5H2,1-4H3.
What are the key properties of 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol?
4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-pyridinyl)-3-methylbutan-2-ol is sourced from PubChem (CID 102262776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).