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

C13H18N2O2 — CID 55146885

IUPAC3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CCCN(Cc2cccnc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-10-4-3-7-15(8-10)9-11-5-2-6-14-12(11)13(16)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,16,17)
InChIKeyYSNJRUUAVTVVSU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds3

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

3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 55146885) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID55146885
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CCCN(Cc2cccnc2C(=O)O)C1
InChIInChI=1S/C13H18N2O2/c1-10-4-3-7-15(8-10)9-11-5-2-6-14-12(11)13(16)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,16,17)
InChIKeyYSNJRUUAVTVVSU-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62893261
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)pyridine-2-carboxylic acid
CID 63151802
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
3-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145764
3-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 63074878
3-[(2,4-dimethylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 114087968
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
2-[(3-methylpiperidin-1-yl)methyl]-6-nitrobenzoic acid
CID 104825845
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 55146885) is 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is CC1CCCN(Cc2cccnc2C(=O)O)C1.
What is the InChIKey of 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is YSNJRUUAVTVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-4-3-7-15(8-10)9-11-5-2-6-14-12(11)13(16)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,16,17).
What are the key properties of 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55146885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).