5-piperidin-1-ylpyrimidine

C9H13N3 — CID 82538195

IUPAC5-piperidin-1-ylpyrimidine
SMILESc1ncc(N2CCCCC2)cn1
InChIInChI=1S/C9H13N3/c1-2-4-12(5-3-1)9-6-10-8-11-7-9/h6-8H,1-5H2
InChIKeyOLASSUAKDLYHHS-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds1

About 5-piperidin-1-ylpyrimidine

5-piperidin-1-ylpyrimidine (PubChem CID 82538195) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-piperidin-1-ylpyrimidine
PubChem CID82538195
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-piperidin-1-ylpyrimidine
SMILESc1ncc(N2CCCCC2)cn1
InChIInChI=1S/C9H13N3/c1-2-4-12(5-3-1)9-6-10-8-11-7-9/h6-8H,1-5H2
InChIKeyOLASSUAKDLYHHS-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 5-piperidin-1-ylpyrimidine?
The IUPAC name of 5-piperidin-1-ylpyrimidine (CID 82538195) is 5-piperidin-1-ylpyrimidine.
What is the SMILES notation for 5-piperidin-1-ylpyrimidine?
The canonical SMILES for 5-piperidin-1-ylpyrimidine is c1ncc(N2CCCCC2)cn1.
What is the InChIKey of 5-piperidin-1-ylpyrimidine?
The InChIKey is OLASSUAKDLYHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-4-12(5-3-1)9-6-10-8-11-7-9/h6-8H,1-5H2.
What are the key properties of 5-piperidin-1-ylpyrimidine?
5-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 5-piperidin-1-ylpyrimidine is sourced from PubChem (CID 82538195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).