methyl 6-piperidin-2-ylpyridine-3-carboxylate

C12H16N2O2 — CID 115032044

IUPACmethyl 6-piperidin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2CCCCN2)nc1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)9-5-6-11(14-8-9)10-4-2-3-7-13-10/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyUQQQQEVBXOLLQY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.68
Rot. Bonds2

About methyl 6-piperidin-2-ylpyridine-3-carboxylate

methyl 6-piperidin-2-ylpyridine-3-carboxylate (PubChem CID 115032044) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 6-piperidin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-piperidin-2-ylpyridine-3-carboxylate
PubChem CID115032044
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 6-piperidin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2CCCCN2)nc1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)9-5-6-11(14-8-9)10-4-2-3-7-13-10/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyUQQQQEVBXOLLQY-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

Analyze methyl 6-piperidin-2-ylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate
CID 55296832
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644
4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
CID 124993884
methyl 6-[(1S)-2-oxocyclopentyl]pyridine-3-carboxylate
CID 97036868
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
6-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66509656
methyl 5-piperidin-2-ylthiophene-3-carboxylate
CID 130022786
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
methyl 4-methyl-3-pyrrolidin-2-ylbenzoate
CID 57440534

Frequently Asked Questions

What is the IUPAC name of methyl 6-piperidin-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 6-piperidin-2-ylpyridine-3-carboxylate (CID 115032044) is methyl 6-piperidin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-piperidin-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-piperidin-2-ylpyridine-3-carboxylate is COC(=O)c1ccc(C2CCCCN2)nc1.
What is the InChIKey of methyl 6-piperidin-2-ylpyridine-3-carboxylate?
The InChIKey is UQQQQEVBXOLLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)9-5-6-11(14-8-9)10-4-2-3-7-13-10/h5-6,8,10,13H,2-4,7H2,1H3.
What are the key properties of methyl 6-piperidin-2-ylpyridine-3-carboxylate?
methyl 6-piperidin-2-ylpyridine-3-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 6-piperidin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 115032044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).