2-piperazin-1-ylethanamine

C6H15N3 — CID 8795

IUPAC2-piperazin-1-ylethanamine
SMILESNCCN1CCNCC1
InChIInChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
InChIKeyIMUDHTPIFIBORV-UHFFFAOYSA-N
MW129.21 g/mol
LogP-1.15
Rot. Bonds2

About 2-piperazin-1-ylethanamine

2-piperazin-1-ylethanamine (PubChem CID 8795) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name2-piperazin-1-ylethanamine
PubChem CID8795
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name2-piperazin-1-ylethanamine
SMILESNCCN1CCNCC1
InChIInChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
InChIKeyIMUDHTPIFIBORV-UHFFFAOYSA-N
XLogP-1.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanamine?
The IUPAC name of 2-piperazin-1-ylethanamine (CID 8795) is 2-piperazin-1-ylethanamine.
What is the SMILES notation for 2-piperazin-1-ylethanamine?
The canonical SMILES for 2-piperazin-1-ylethanamine is NCCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethanamine?
The InChIKey is IMUDHTPIFIBORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2.
What are the key properties of 2-piperazin-1-ylethanamine?
2-piperazin-1-ylethanamine has a molecular weight of 129.21 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanamine is sourced from PubChem (CID 8795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).