6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid

C13H18N2O2 — CID 62331437

IUPAC6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)O)cn2)C(C)C1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-15(10(2)7-9)12-4-3-11(8-14-12)13(16)17/h3-4,8-10H,5-7H2,1-2H3,(H,16,17)
InChIKeyLSYMUWDYDGXZTN-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.40
Rot. Bonds2

About 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid

6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 62331437) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID62331437
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCN(c2ccc(C(=O)O)cn2)C(C)C1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-15(10(2)7-9)12-4-3-11(8-14-12)13(16)17/h3-4,8-10H,5-7H2,1-2H3,(H,16,17)
InChIKeyLSYMUWDYDGXZTN-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62344994
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 113378624
tert-butyl N-[2-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 133395610
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
6-(2-methyl-2,3-dihydropyrrol-1-yl)pyridine-3-carboxylic acid
CID 167015805
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
2-(2,4-dimethylpiperidin-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116691156
6-[(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67514233
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95207332

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 62331437) is 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid is CC1CCN(c2ccc(C(=O)O)cn2)C(C)C1.
What is the InChIKey of 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is LSYMUWDYDGXZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-6-15(10(2)7-9)12-4-3-11(8-14-12)13(16)17/h3-4,8-10H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid?
6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62331437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).