2-piperidin-1-ylpyrimidine

C9H13N3 — CID 11446518

IUPAC2-piperidin-1-ylpyrimidine
SMILESc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H13N3/c1-2-7-12(8-3-1)9-10-5-4-6-11-9/h4-6H,1-3,7-8H2
InChIKeyIAGROJPXACRRDT-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds1

About 2-piperidin-1-ylpyrimidine

2-piperidin-1-ylpyrimidine (PubChem CID 11446518) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-piperidin-1-ylpyrimidine
PubChem CID11446518
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-piperidin-1-ylpyrimidine
SMILESc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H13N3/c1-2-7-12(8-3-1)9-10-5-4-6-11-9/h4-6H,1-3,7-8H2
InChIKeyIAGROJPXACRRDT-UHFFFAOYSA-N
XLogP1.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpyrimidine?
The IUPAC name of 2-piperidin-1-ylpyrimidine (CID 11446518) is 2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2-piperidin-1-ylpyrimidine?
The canonical SMILES for 2-piperidin-1-ylpyrimidine is c1cnc(N2CCCCC2)nc1.
What is the InChIKey of 2-piperidin-1-ylpyrimidine?
The InChIKey is IAGROJPXACRRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7-12(8-3-1)9-10-5-4-6-11-9/h4-6H,1-3,7-8H2.
What are the key properties of 2-piperidin-1-ylpyrimidine?
2-piperidin-1-ylpyrimidine has a molecular weight of 163.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 11446518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).