methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate

C14H20N2O2 — CID 112550259

IUPACmethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ncccc2C)C1
InChIInChI=1S/C14H20N2O2/c1-11-5-3-7-15-13(11)10-16-8-4-6-12(9-16)14(17)18-2/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyXHAUOERDVWFZLG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds3

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

methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate (PubChem CID 112550259) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
PubChem CID112550259
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ncccc2C)C1
InChIInChI=1S/C14H20N2O2/c1-11-5-3-7-15-13(11)10-16-8-4-6-12(9-16)14(17)18-2/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyXHAUOERDVWFZLG-UHFFFAOYSA-N
XLogP1.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-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 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
methyl (3S)-1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 115537508
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
methyl 1-[(3,6-dichloro-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 113330922
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541
methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
CID 79046872
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate (CID 112550259) is methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate is COC(=O)C1CCCN(Cc2ncccc2C)C1.
What is the InChIKey of methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate?
The InChIKey is XHAUOERDVWFZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-3-7-15-13(11)10-16-8-4-6-12(9-16)14(17)18-2/h3,5,7,12H,4,6,8-10H2,1-2H3.
What are the key properties of methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate?
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 112550259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).