4-piperazin-1-yl-2-piperidin-1-ylpyrimidine

C13H21N5 — CID 83724540

IUPAC4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
SMILESc1cc(N2CCNCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5/c1-2-8-18(9-3-1)13-15-5-4-12(16-13)17-10-6-14-7-11-17/h4-5,14H,1-3,6-11H2
InChIKeyJSCALQMWZYDWSI-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.88
Rot. Bonds2

About 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine

4-piperazin-1-yl-2-piperidin-1-ylpyrimidine (PubChem CID 83724540) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
PubChem CID83724540
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
SMILESc1cc(N2CCNCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5/c1-2-8-18(9-3-1)13-15-5-4-12(16-13)17-10-6-14-7-11-17/h4-5,14H,1-3,6-11H2
InChIKeyJSCALQMWZYDWSI-UHFFFAOYSA-N
XLogP0.88
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-piperazin-1-yl-2-piperidin-1-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 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine (CID 83724540) is 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine is c1cc(N2CCNCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine?
The InChIKey is JSCALQMWZYDWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-2-8-18(9-3-1)13-15-5-4-12(16-13)17-10-6-14-7-11-17/h4-5,14H,1-3,6-11H2.
What are the key properties of 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine?
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine has a molecular weight of 247.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 83724540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).