6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid

C14H21N3O2 — CID 106904012

IUPAC6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESCNCC1CCCN(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H21N3O2/c1-15-8-11-4-3-7-17(9-11)10-12-5-2-6-13(16-12)14(18)19/h2,5-6,11,15H,3-4,7-10H2,1H3,(H,18,19)
InChIKeyPICPQRMPJNLBGE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.21
Rot. Bonds5

About 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid

6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 106904012) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID106904012
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESCNCC1CCCN(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C14H21N3O2/c1-15-8-11-4-3-7-17(9-11)10-12-5-2-6-13(16-12)14(18)19/h2,5-6,11,15H,3-4,7-10H2,1H3,(H,18,19)
InChIKeyPICPQRMPJNLBGE-UHFFFAOYSA-N
XLogP1.21
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
[1-[[6-(methylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 79242797
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905069
6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 126427464

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 106904012) is 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid is CNCC1CCCN(Cc2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is PICPQRMPJNLBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-8-11-4-3-7-17(9-11)10-12-5-2-6-13(16-12)14(18)19/h2,5-6,11,15H,3-4,7-10H2,1H3,(H,18,19).
What are the key properties of 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).