1,2-bis(aziridin-1-yl)piperazine

C8H16N4 — CID 175344494

IUPAC1,2-bis(aziridin-1-yl)piperazine
SMILESC1CN(N2CC2)C(N2CC2)CN1
InChIInChI=1S/C8H16N4/c1-2-12(11-5-6-11)8(7-9-1)10-3-4-10/h8-9H,1-7H2
InChIKeyLLVLRGHNTPIUKB-UHFFFAOYSA-N
MW168.24 g/mol
LogP-1.24
Rot. Bonds2

About 1,2-bis(aziridin-1-yl)piperazine

1,2-bis(aziridin-1-yl)piperazine (PubChem CID 175344494) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,2-bis(aziridin-1-yl)piperazine.

Molecular Properties

Compound Name1,2-bis(aziridin-1-yl)piperazine
PubChem CID175344494
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1,2-bis(aziridin-1-yl)piperazine
SMILESC1CN(N2CC2)C(N2CC2)CN1
InChIInChI=1S/C8H16N4/c1-2-12(11-5-6-11)8(7-9-1)10-3-4-10/h8-9H,1-7H2
InChIKeyLLVLRGHNTPIUKB-UHFFFAOYSA-N
XLogP-1.24
TPSA21.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(aziridin-1-yl)piperazine?
The IUPAC name of 1,2-bis(aziridin-1-yl)piperazine (CID 175344494) is 1,2-bis(aziridin-1-yl)piperazine.
What is the SMILES notation for 1,2-bis(aziridin-1-yl)piperazine?
The canonical SMILES for 1,2-bis(aziridin-1-yl)piperazine is C1CN(N2CC2)C(N2CC2)CN1.
What is the InChIKey of 1,2-bis(aziridin-1-yl)piperazine?
The InChIKey is LLVLRGHNTPIUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-12(11-5-6-11)8(7-9-1)10-3-4-10/h8-9H,1-7H2.
What are the key properties of 1,2-bis(aziridin-1-yl)piperazine?
1,2-bis(aziridin-1-yl)piperazine has a molecular weight of 168.24 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(aziridin-1-yl)piperazine is sourced from PubChem (CID 175344494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).