1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid

C12H15FN2O2 — CID 20754487

IUPAC1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccnc(F)c2)CC1
InChIInChI=1S/C12H15FN2O2/c13-11-7-9(1-4-14-11)8-15-5-2-10(3-6-15)12(16)17/h1,4,7,10H,2-3,5-6,8H2,(H,16,17)
InChIKeyGNHSWUTUBITYQL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.52
Rot. Bonds3

About 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid

1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid (PubChem CID 20754487) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid
PubChem CID20754487
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccnc(F)c2)CC1
InChIInChI=1S/C12H15FN2O2/c13-11-7-9(1-4-14-11)8-15-5-2-10(3-6-15)12(16)17/h1,4,7,10H,2-3,5-6,8H2,(H,16,17)
InChIKeyGNHSWUTUBITYQL-UHFFFAOYSA-N
XLogP1.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid (CID 20754487) is 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccnc(F)c2)CC1.
What is the InChIKey of 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is GNHSWUTUBITYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-11-7-9(1-4-14-11)8-15-5-2-10(3-6-15)12(16)17/h1,4,7,10H,2-3,5-6,8H2,(H,16,17).
What are the key properties of 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid?
1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-pyridinyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 20754487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).