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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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).