4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid

C13H15N3O3 — CID 150205283

IUPAC4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
SMILESN#Cc1ccnc(OCC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C13H15N3O3/c14-8-11-1-4-15-12(7-11)19-9-10-2-5-16(6-3-10)13(17)18/h1,4,7,10H,2-3,5-6,9H2,(H,17,18)
InChIKeyFQIUAYFSPCBKGV-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.72
Rot. Bonds3

About 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid

4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid (PubChem CID 150205283) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
PubChem CID150205283
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
SMILESN#Cc1ccnc(OCC2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C13H15N3O3/c14-8-11-1-4-15-12(7-11)19-9-10-2-5-16(6-3-10)13(17)18/h1,4,7,10H,2-3,5-6,9H2,(H,17,18)
InChIKeyFQIUAYFSPCBKGV-UHFFFAOYSA-N
XLogP1.72
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid (CID 150205283) is 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid is N#Cc1ccnc(OCC2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid?
The InChIKey is FQIUAYFSPCBKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-8-11-1-4-15-12(7-11)19-9-10-2-5-16(6-3-10)13(17)18/h1,4,7,10H,2-3,5-6,9H2,(H,17,18).
What are the key properties of 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid?
4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 150205283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).