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

C12H16N2O2 — CID 2761157

IUPAC1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C12H16N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,15,16)
InChIKeyFQQLUUHEXSHYTO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.38
Rot. Bonds3

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

1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 2761157) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
PubChem CID2761157
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C12H16N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,15,16)
InChIKeyFQQLUUHEXSHYTO-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-4-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid (CID 2761157) is 1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is FQQLUUHEXSHYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,15,16).
What are the key properties of 1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid?
1-(pyridin-4-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-4-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 2761157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).