2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid

C13H18N2O2 — CID 82187666

IUPAC2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
SMILESCC1CCCCN1Cc1ncccc1C(=O)O
InChIInChI=1S/C13H18N2O2/c1-10-5-2-3-8-15(10)9-12-11(13(16)17)6-4-7-14-12/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyJYURMLPKIJNKIG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.15
Rot. Bonds3

About 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid

2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 82187666) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
PubChem CID82187666
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
SMILESCC1CCCCN1Cc1ncccc1C(=O)O
InChIInChI=1S/C13H18N2O2/c1-10-5-2-3-8-15(10)9-12-11(13(16)17)6-4-7-14-12/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyJYURMLPKIJNKIG-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50975136
2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 114198575
2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95132226
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50951702
2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
CID 20986481
3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine
CID 171690143
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-[(2,7-dioxoazepan-1-yl)methyl]pyridine-3-carboxylic acid
CID 114198370
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 107072167
2-[(3-ethenyl-2-pyridinyl)-[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoic acid
CID 167002262
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid (CID 82187666) is 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid is CC1CCCCN1Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is JYURMLPKIJNKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-5-2-3-8-15(10)9-12-11(13(16)17)6-4-7-14-12/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid?
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82187666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).