4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid

C14H20N2O2 — CID 81244783

IUPAC4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C)(C)C2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O2/c1-10-7-12(11(8-15-10)13(17)18)16-6-4-5-14(2,3)9-16/h7-8H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyWZEFYLSMIHNVFH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.71
Rot. Bonds2

About 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid

4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid (PubChem CID 81244783) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
PubChem CID81244783
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C)(C)C2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O2/c1-10-7-12(11(8-15-10)13(17)18)16-6-4-5-14(2,3)9-16/h7-8H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyWZEFYLSMIHNVFH-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 81233197
[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol
CID 81238075
6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
CID 81232904
3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 114288722
N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81247724
6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81233113
6-methyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carboxylic acid
CID 81243834
6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81232217
4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81233126
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81244532
1-[4-bromo-2-(3,3-dimethylpiperidin-1-yl)phenyl]ethanone
CID 82967138
2-amino-3-(3,3-dimethylpiperidin-1-yl)benzoic acid
CID 115546247

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid (CID 81244783) is 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid is Cc1cc(N2CCCC(C)(C)C2)c(C(=O)O)cn1.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is WZEFYLSMIHNVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-12(11(8-15-10)13(17)18)16-6-4-5-14(2,3)9-16/h7-8H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).