2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol

C13H20N2O — CID 82980101

IUPAC2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCCC2(C)C)n1
InChIInChI=1S/C13H20N2O/c1-10-5-6-12(16)11(14-10)9-15-8-4-7-13(15,2)3/h5-6,16H,4,7-9H2,1-3H3
InChIKeySWVOCKQOFQRUJZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.47
Rot. Bonds2

About 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol

2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol (PubChem CID 82980101) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
PubChem CID82980101
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCCC2(C)C)n1
InChIInChI=1S/C13H20N2O/c1-10-5-6-12(16)11(14-10)9-15-8-4-7-13(15,2)3/h5-6,16H,4,7-9H2,1-3H3
InChIKeySWVOCKQOFQRUJZ-UHFFFAOYSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol (CID 82980101) is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2CCCC2(C)C)n1.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol?
The InChIKey is SWVOCKQOFQRUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-6-12(16)11(14-10)9-15-8-4-7-13(15,2)3/h5-6,16H,4,7-9H2,1-3H3.
What are the key properties of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol?
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 82980101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).