2-piperidin-4-ylpyrazine

C9H13N3 — CID 19758800

IUPAC2-piperidin-4-ylpyrazine
SMILESc1cnc(C2CCNCC2)cn1
InChIInChI=1S/C9H13N3/c1-3-10-4-2-8(1)9-7-11-5-6-12-9/h5-8,10H,1-4H2
InChIKeyQQMDJOVPTLPHMB-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.94
Rot. Bonds1

About 2-piperidin-4-ylpyrazine

2-piperidin-4-ylpyrazine (PubChem CID 19758800) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-piperidin-4-ylpyrazine.

Molecular Properties

Compound Name2-piperidin-4-ylpyrazine
PubChem CID19758800
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-piperidin-4-ylpyrazine
SMILESc1cnc(C2CCNCC2)cn1
InChIInChI=1S/C9H13N3/c1-3-10-4-2-8(1)9-7-11-5-6-12-9/h5-8,10H,1-4H2
InChIKeyQQMDJOVPTLPHMB-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-ylpyrazine?
The IUPAC name of 2-piperidin-4-ylpyrazine (CID 19758800) is 2-piperidin-4-ylpyrazine.
What is the SMILES notation for 2-piperidin-4-ylpyrazine?
The canonical SMILES for 2-piperidin-4-ylpyrazine is c1cnc(C2CCNCC2)cn1.
What is the InChIKey of 2-piperidin-4-ylpyrazine?
The InChIKey is QQMDJOVPTLPHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-10-4-2-8(1)9-7-11-5-6-12-9/h5-8,10H,1-4H2.
What are the key properties of 2-piperidin-4-ylpyrazine?
2-piperidin-4-ylpyrazine 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-ylpyrazine is sourced from PubChem (CID 19758800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).