1-pyrimidin-4-ylpiperidine-4-carboxylic acid

C10H13N3O2 — CID 22721856

IUPAC1-pyrimidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-2-5-13(6-3-8)9-1-4-11-7-12-9/h1,4,7-8H,2-3,5-6H2,(H,14,15)
InChIKeyIGSRZNZMIICPQX-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

About 1-pyrimidin-4-ylpiperidine-4-carboxylic acid

1-pyrimidin-4-ylpiperidine-4-carboxylic acid (PubChem CID 22721856) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-pyrimidin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pyrimidin-4-ylpiperidine-4-carboxylic acid
PubChem CID22721856
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-pyrimidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-2-5-13(6-3-8)9-1-4-11-7-12-9/h1,4,7-8H,2-3,5-6H2,(H,14,15)
InChIKeyIGSRZNZMIICPQX-UHFFFAOYSA-N
XLogP0.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-pyrimidin-4-ylpiperidine-4-carboxylic acid (CID 22721856) is 1-pyrimidin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-pyrimidin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-pyrimidin-4-ylpiperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccncn2)CC1.
What is the InChIKey of 1-pyrimidin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is IGSRZNZMIICPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)8-2-5-13(6-3-8)9-1-4-11-7-12-9/h1,4,7-8H,2-3,5-6H2,(H,14,15).
What are the key properties of 1-pyrimidin-4-ylpiperidine-4-carboxylic acid?
1-pyrimidin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22721856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).