2-piperidin-4-ylpyrimidine

C9H13N3 — CID 15516969

IUPAC2-piperidin-4-ylpyrimidine
SMILESc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2
InChIKeyOLYYSYUUMYTBLJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.94
Rot. Bonds1

About 2-piperidin-4-ylpyrimidine

2-piperidin-4-ylpyrimidine (PubChem CID 15516969) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name2-piperidin-4-ylpyrimidine
PubChem CID15516969
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-piperidin-4-ylpyrimidine
SMILESc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2
InChIKeyOLYYSYUUMYTBLJ-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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpyrimidine?
The IUPAC name of 2-piperidin-4-ylpyrimidine (CID 15516969) is 2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 2-piperidin-4-ylpyrimidine?
The canonical SMILES for 2-piperidin-4-ylpyrimidine is c1cnc(C2CCNCC2)nc1.
What is the InChIKey of 2-piperidin-4-ylpyrimidine?
The InChIKey is OLYYSYUUMYTBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2.
What are the key properties of 2-piperidin-4-ylpyrimidine?
2-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 2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 15516969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).