1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid

C12H16N2O2 — CID 3451783

IUPAC1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H16N2O2/c15-12(16)10-4-7-14(8-5-10)9-11-3-1-2-6-13-11/h1-3,6,10H,4-5,7-9H2,(H,15,16)
InChIKeyJFEQWWLLXPMZIL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.38
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid

1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 3451783) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid
PubChem CID3451783
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H16N2O2/c15-12(16)10-4-7-14(8-5-10)9-11-3-1-2-6-13-11/h1-3,6,10H,4-5,7-9H2,(H,15,16)
InChIKeyJFEQWWLLXPMZIL-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid (CID 3451783) is 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is JFEQWWLLXPMZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)10-4-7-14(8-5-10)9-11-3-1-2-6-13-11/h1-3,6,10H,4-5,7-9H2,(H,15,16).
What are the key properties of 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid?
1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 3451783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).