methyl 3-piperidin-1-ylpyridine-2-carboxylate

C12H16N2O2 — CID 84587667

IUPACmethyl 3-piperidin-1-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N1CCCCC1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)11-10(6-5-7-13-11)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3
InChIKeyUYSZXMMVLSNYJL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.86
Rot. Bonds2

About methyl 3-piperidin-1-ylpyridine-2-carboxylate

methyl 3-piperidin-1-ylpyridine-2-carboxylate (PubChem CID 84587667) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 3-piperidin-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-piperidin-1-ylpyridine-2-carboxylate
PubChem CID84587667
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 3-piperidin-1-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N1CCCCC1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)11-10(6-5-7-13-11)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3
InChIKeyUYSZXMMVLSNYJL-UHFFFAOYSA-N
XLogP1.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-1-ylpyridine-2-carboxylate?
The IUPAC name of methyl 3-piperidin-1-ylpyridine-2-carboxylate (CID 84587667) is methyl 3-piperidin-1-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-piperidin-1-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-piperidin-1-ylpyridine-2-carboxylate is COC(=O)c1ncccc1N1CCCCC1.
What is the InChIKey of methyl 3-piperidin-1-ylpyridine-2-carboxylate?
The InChIKey is UYSZXMMVLSNYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)11-10(6-5-7-13-11)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3.
What are the key properties of methyl 3-piperidin-1-ylpyridine-2-carboxylate?
methyl 3-piperidin-1-ylpyridine-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 84587667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).