3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

C14H20N2O2 — CID 107072167

IUPAC3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCc1cccnc1CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-10-5-3-7-15-12(10)9-16-8-4-6-11(2)13(16)14(17)18/h3,5,7,11,13H,4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyANQBATWQARNZHN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.08
Rot. Bonds3

About 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid

3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (PubChem CID 107072167) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
PubChem CID107072167
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESCc1cccnc1CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-10-5-3-7-15-12(10)9-16-8-4-6-11(2)13(16)14(17)18/h3,5,7,11,13H,4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyANQBATWQARNZHN-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
N-cyclopropyl-N-[[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474004
N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 112650471
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142
2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339826
2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
CID 112651342
3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid
CID 107072568
1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072129
3-methyl-2-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 112650958
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785136
1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784462

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid (CID 107072167) is 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is Cc1cccnc1CN1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is ANQBATWQARNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-3-7-15-12(10)9-16-8-4-6-11(2)13(16)14(17)18/h3,5,7,11,13H,4,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid?
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).