5-piperidin-4-ylpyrimidine

C9H13N3 — CID 24904194

IUPAC5-piperidin-4-ylpyrimidine
SMILESc1ncc(C2CCNCC2)cn1
InChIInChI=1S/C9H13N3/c1-3-10-4-2-8(1)9-5-11-7-12-6-9/h5-8,10H,1-4H2
InChIKeyHHFIXRJIGYQCIK-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.94
Rot. Bonds1

About 5-piperidin-4-ylpyrimidine

5-piperidin-4-ylpyrimidine (PubChem CID 24904194) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name5-piperidin-4-ylpyrimidine
PubChem CID24904194
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-piperidin-4-ylpyrimidine
SMILESc1ncc(C2CCNCC2)cn1
InChIInChI=1S/C9H13N3/c1-3-10-4-2-8(1)9-5-11-7-12-6-9/h5-8,10H,1-4H2
InChIKeyHHFIXRJIGYQCIK-UHFFFAOYSA-N
XLogP0.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-piperidin-4-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylpyrimidine?
The IUPAC name of 5-piperidin-4-ylpyrimidine (CID 24904194) is 5-piperidin-4-ylpyrimidine.
What is the SMILES notation for 5-piperidin-4-ylpyrimidine?
The canonical SMILES for 5-piperidin-4-ylpyrimidine is c1ncc(C2CCNCC2)cn1.
What is the InChIKey of 5-piperidin-4-ylpyrimidine?
The InChIKey is HHFIXRJIGYQCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-10-4-2-8(1)9-5-11-7-12-6-9/h5-8,10H,1-4H2.
What are the key properties of 5-piperidin-4-ylpyrimidine?
5-piperidin-4-ylpyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-ylpyrimidine is sourced from PubChem (CID 24904194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).