piperazin-1-ylmethanamine

C5H13N3 — CID 3015016

IUPACpiperazin-1-ylmethanamine
SMILESNCN1CCNCC1
InChIInChI=1S/C5H13N3/c6-5-8-3-1-7-2-4-8/h7H,1-6H2
InChIKeyGHAIYFTVRRTBNG-UHFFFAOYSA-N
MW115.18 g/mol
LogP-1.19
Rot. Bonds1

About piperazin-1-ylmethanamine

piperazin-1-ylmethanamine (PubChem CID 3015016) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is piperazin-1-ylmethanamine.

Molecular Properties

Compound Namepiperazin-1-ylmethanamine
PubChem CID3015016
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Namepiperazin-1-ylmethanamine
SMILESNCN1CCNCC1
InChIInChI=1S/C5H13N3/c6-5-8-3-1-7-2-4-8/h7H,1-6H2
InChIKeyGHAIYFTVRRTBNG-UHFFFAOYSA-N
XLogP-1.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-ylmethanamine?
The IUPAC name of piperazin-1-ylmethanamine (CID 3015016) is piperazin-1-ylmethanamine.
What is the SMILES notation for piperazin-1-ylmethanamine?
The canonical SMILES for piperazin-1-ylmethanamine is NCN1CCNCC1.
What is the InChIKey of piperazin-1-ylmethanamine?
The InChIKey is GHAIYFTVRRTBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c6-5-8-3-1-7-2-4-8/h7H,1-6H2.
What are the key properties of piperazin-1-ylmethanamine?
piperazin-1-ylmethanamine has a molecular weight of 115.18 g/mol, XLogP of -1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-ylmethanamine is sourced from PubChem (CID 3015016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).