piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride

C13H24FN5 — CID 174800980

IUPACpiperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
SMILESC1CNCCN1.F.c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H13N3.C4H10N2.FH/c1-2-7-12(8-3-1)9-10-5-4-6-11-9;1-2-6-4-3-5-1;/h4-6H,1-3,7-8H2;5-6H,1-4H2;1H
InChIKeyBGNOHUTYNJMWRH-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.80
Rot. Bonds1

About piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride

piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride (PubChem CID 174800980) has the molecular formula C13H24FN5 and a molecular weight of 269.37 g/mol. Its IUPAC name is piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride.

Molecular Properties

Compound Namepiperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
PubChem CID174800980
Molecular FormulaC13H24FN5
Molecular Weight269.37 g/mol
Exact Mass269.20
IUPAC Namepiperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
SMILESC1CNCCN1.F.c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H13N3.C4H10N2.FH/c1-2-7-12(8-3-1)9-10-5-4-6-11-9;1-2-6-4-3-5-1;/h4-6H,1-3,7-8H2;5-6H,1-4H2;1H
InChIKeyBGNOHUTYNJMWRH-UHFFFAOYSA-N
XLogP0.80
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride?
The IUPAC name of piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride (CID 174800980) is piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride.
What is the SMILES notation for piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride?
The canonical SMILES for piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride is C1CNCCN1.F.c1cnc(N2CCCCC2)nc1.
What is the InChIKey of piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride?
The InChIKey is BGNOHUTYNJMWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.C4H10N2.FH/c1-2-7-12(8-3-1)9-10-5-4-6-11-9;1-2-6-4-3-5-1;/h4-6H,1-3,7-8H2;5-6H,1-4H2;1H.
What are the key properties of piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride?
piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride has a molecular weight of 269.37 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride is sourced from PubChem (CID 174800980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).