3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol

C12H19NO2 — CID 103457204

IUPAC3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1ccncc1C(O)C(O)C(C)(C)C
InChIInChI=1S/C12H19NO2/c1-8-5-6-13-7-9(8)10(14)11(15)12(2,3)4/h5-7,10-11,14-15H,1-4H3
InChIKeyLZMJOPDSLSROTF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.83
Rot. Bonds2

About 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol

3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol (PubChem CID 103457204) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
PubChem CID103457204
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1ccncc1C(O)C(O)C(C)(C)C
InChIInChI=1S/C12H19NO2/c1-8-5-6-13-7-9(8)10(14)11(15)12(2,3)4/h5-7,10-11,14-15H,1-4H3
InChIKeyLZMJOPDSLSROTF-UHFFFAOYSA-N
XLogP1.83
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 116711939
2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 79197516
N,2,2-trimethyl-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 66271629
[2,2-dimethyl-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105203072
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817782
2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
CID 103449352
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-ol
CID 79045471
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol (CID 103457204) is 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol is Cc1ccncc1C(O)C(O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol?
The InChIKey is LZMJOPDSLSROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-5-6-13-7-9(8)10(14)11(15)12(2,3)4/h5-7,10-11,14-15H,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol?
3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol has a molecular weight of 209.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 103457204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).