2,4-dimethyl-4-pyridin-3-ylpentan-2-ol

C12H19NO — CID 145044151

IUPAC2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)c1cccnc1
InChIInChI=1S/C12H19NO/c1-11(2,9-12(3,4)14)10-6-5-7-13-8-10/h5-8,14H,9H2,1-4H3
InChIKeyLMJZEJGPKLRIAY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds3

About 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol

2,4-dimethyl-4-pyridin-3-ylpentan-2-ol (PubChem CID 145044151) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
PubChem CID145044151
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)c1cccnc1
InChIInChI=1S/C12H19NO/c1-11(2,9-12(3,4)14)10-6-5-7-13-8-10/h5-8,14H,9H2,1-4H3
InChIKeyLMJZEJGPKLRIAY-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
tripyridin-3-ylmethanol
CID 177395677
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol
CID 124638281
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol?
The IUPAC name of 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol (CID 145044151) is 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol?
The canonical SMILES for 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol is CC(C)(O)CC(C)(C)c1cccnc1.
What is the InChIKey of 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol?
The InChIKey is LMJZEJGPKLRIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(2,9-12(3,4)14)10-6-5-7-13-8-10/h5-8,14H,9H2,1-4H3.
What are the key properties of 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol?
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-pyridin-3-ylpentan-2-ol is sourced from PubChem (CID 145044151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).