methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate

C13H18N2O2 — CID 115371320

IUPACmethyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccncc1
InChIInChI=1S/C13H18N2O2/c1-17-13(16)12-4-2-3-9-15(12)10-11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3/t12-/m1/s1
InChIKeyBMGDEBPWIWIXIR-GFCCVEGCSA-N
MW234.30 g/mol
LogP1.61
Rot. Bonds3

About methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate

methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate (PubChem CID 115371320) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
PubChem CID115371320
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccncc1
InChIInChI=1S/C13H18N2O2/c1-17-13(16)12-4-2-3-9-15(12)10-11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3/t12-/m1/s1
InChIKeyBMGDEBPWIWIXIR-GFCCVEGCSA-N
XLogP1.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-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-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
CID 79833064
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate (CID 115371320) is methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1ccncc1.
What is the InChIKey of methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate?
The InChIKey is BMGDEBPWIWIXIR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-13(16)12-4-2-3-9-15(12)10-11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate?
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate is sourced from PubChem (CID 115371320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).