4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol

C12H19NO — CID 115375350

IUPAC4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol
SMILESCc1cncc(C(C)(C)CC(C)O)c1
InChIInChI=1S/C12H19NO/c1-9-5-11(8-13-7-9)12(3,4)6-10(2)14/h5,7-8,10,14H,6H2,1-4H3
InChIKeyYIGHDAXVXKEKSA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.44
Rot. Bonds3

About 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol

4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol (PubChem CID 115375350) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol
PubChem CID115375350
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol
SMILESCc1cncc(C(C)(C)CC(C)O)c1
InChIInChI=1S/C12H19NO/c1-9-5-11(8-13-7-9)12(3,4)6-10(2)14/h5,7-8,10,14H,6H2,1-4H3
InChIKeyYIGHDAXVXKEKSA-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridine
CID 115375381
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
CID 115375580
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol
CID 115375573
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
CID 123237942
4-amino-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115375569
4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol
CID 107129477
4-(5-methyl-3-pyridinyl)heptan-4-ol
CID 114866004

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol?
The IUPAC name of 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol (CID 115375350) is 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol.
What is the SMILES notation for 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol?
The canonical SMILES for 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol is Cc1cncc(C(C)(C)CC(C)O)c1.
What is the InChIKey of 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol?
The InChIKey is YIGHDAXVXKEKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-11(8-13-7-9)12(3,4)6-10(2)14/h5,7-8,10,14H,6H2,1-4H3.
What are the key properties of 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol?
4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(5-methyl-3-pyridinyl)pentan-2-ol is sourced from PubChem (CID 115375350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).