2-piperidin-4-ylpyrimidine-4-carboxylic acid

C10H13N3O2 — CID 84675085

IUPAC2-piperidin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCNCC2)n1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-3-6-12-9(13-8)7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2,(H,14,15)
InChIKeyZUACSGCVOVXYSA-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.64
Rot. Bonds2

About 2-piperidin-4-ylpyrimidine-4-carboxylic acid

2-piperidin-4-ylpyrimidine-4-carboxylic acid (PubChem CID 84675085) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-piperidin-4-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-4-ylpyrimidine-4-carboxylic acid
PubChem CID84675085
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-piperidin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCNCC2)n1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-3-6-12-9(13-8)7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2,(H,14,15)
InChIKeyZUACSGCVOVXYSA-UHFFFAOYSA-N
XLogP0.64
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-piperidin-4-ylpyrimidine-4-carboxylic acid (CID 84675085) is 2-piperidin-4-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-piperidin-4-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-piperidin-4-ylpyrimidine-4-carboxylic acid is O=C(O)c1ccnc(C2CCNCC2)n1.
What is the InChIKey of 2-piperidin-4-ylpyrimidine-4-carboxylic acid?
The InChIKey is ZUACSGCVOVXYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)8-3-6-12-9(13-8)7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2,(H,14,15).
What are the key properties of 2-piperidin-4-ylpyrimidine-4-carboxylic acid?
2-piperidin-4-ylpyrimidine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 84675085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).