3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol

C12H18N2O — CID 176651247

IUPAC3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
SMILESCC(C)c1ccc(N2CC(C)(O)C2)nc1
InChIInChI=1S/C12H18N2O/c1-9(2)10-4-5-11(13-6-10)14-7-12(3,15)8-14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyBTUJYPYCGUPWOI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.78
Rot. Bonds2

About 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol

3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol (PubChem CID 176651247) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
PubChem CID176651247
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
SMILESCC(C)c1ccc(N2CC(C)(O)C2)nc1
InChIInChI=1S/C12H18N2O/c1-9(2)10-4-5-11(13-6-10)14-7-12(3,15)8-14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyBTUJYPYCGUPWOI-UHFFFAOYSA-N
XLogP1.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876737
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
1-[6-(2,2,6,6-tetramethylmorpholin-4-yl)-3-pyridinyl]ethanamine
CID 102744252
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-2-methylpropan-1-amine
CID 138675923
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine
CID 90991499
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
bis(7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[4.4]nonane);7-(5-propan-2-yl-2-pyridinyl)-1,7-diazaspiro[3.4]octane
CID 157115492
3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine
CID 20811492
1-[1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]azetidin-3-ol
CID 163566673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol?
The IUPAC name of 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol (CID 176651247) is 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol?
The canonical SMILES for 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol is CC(C)c1ccc(N2CC(C)(O)C2)nc1.
What is the InChIKey of 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol?
The InChIKey is BTUJYPYCGUPWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)10-4-5-11(13-6-10)14-7-12(3,15)8-14/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol?
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol is sourced from PubChem (CID 176651247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).