methyl 5-piperidin-2-ylpyridine-2-carboxylate

C12H16N2O2 — CID 54396693

IUPACmethyl 5-piperidin-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C2CCCCN2)cn1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)11-6-5-9(8-14-11)10-4-2-3-7-13-10/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyVKMCLIAOBNJEAO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.68
Rot. Bonds2

About methyl 5-piperidin-2-ylpyridine-2-carboxylate

methyl 5-piperidin-2-ylpyridine-2-carboxylate (PubChem CID 54396693) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 5-piperidin-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-piperidin-2-ylpyridine-2-carboxylate
PubChem CID54396693
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 5-piperidin-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C2CCCCN2)cn1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)11-6-5-9(8-14-11)10-4-2-3-7-13-10/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyVKMCLIAOBNJEAO-UHFFFAOYSA-N
XLogP1.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
methyl 6-piperidin-2-ylpyridine-3-carboxylate
CID 115032044
methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride
CID 170975594
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889
N-cyclobutyl-5-piperidin-2-ylpyridin-2-amine
CID 102540393
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine
CID 174645141
N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
CID 154574804
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644

Frequently Asked Questions

What is the IUPAC name of methyl 5-piperidin-2-ylpyridine-2-carboxylate?
The IUPAC name of methyl 5-piperidin-2-ylpyridine-2-carboxylate (CID 54396693) is methyl 5-piperidin-2-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-piperidin-2-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-piperidin-2-ylpyridine-2-carboxylate is COC(=O)c1ccc(C2CCCCN2)cn1.
What is the InChIKey of methyl 5-piperidin-2-ylpyridine-2-carboxylate?
The InChIKey is VKMCLIAOBNJEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)11-6-5-9(8-14-11)10-4-2-3-7-13-10/h5-6,8,10,13H,2-4,7H2,1H3.
What are the key properties of methyl 5-piperidin-2-ylpyridine-2-carboxylate?
methyl 5-piperidin-2-ylpyridine-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperidin-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 54396693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).