1-piperazin-1-ylethane-1,1,2,2-tetramine

C6H18N6 — CID 175066978

IUPAC1-piperazin-1-ylethane-1,1,2,2-tetramine
SMILESNC(N)C(N)(N)N1CCNCC1
InChIInChI=1S/C6H18N6/c7-5(8)6(9,10)12-3-1-11-2-4-12/h5,11H,1-4,7-10H2
InChIKeyQXMGBBUORSXOLL-UHFFFAOYSA-N
MW174.25 g/mol
LogP-3.29
Rot. Bonds2

About 1-piperazin-1-ylethane-1,1,2,2-tetramine

1-piperazin-1-ylethane-1,1,2,2-tetramine (PubChem CID 175066978) has the molecular formula C6H18N6 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-piperazin-1-ylethane-1,1,2,2-tetramine.

Molecular Properties

Compound Name1-piperazin-1-ylethane-1,1,2,2-tetramine
PubChem CID175066978
Molecular FormulaC6H18N6
Molecular Weight174.25 g/mol
Exact Mass174.16
IUPAC Name1-piperazin-1-ylethane-1,1,2,2-tetramine
SMILESNC(N)C(N)(N)N1CCNCC1
InChIInChI=1S/C6H18N6/c7-5(8)6(9,10)12-3-1-11-2-4-12/h5,11H,1-4,7-10H2
InChIKeyQXMGBBUORSXOLL-UHFFFAOYSA-N
XLogP-3.29
TPSA119.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-3.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylethane-1,1,2,2-tetramine?
The IUPAC name of 1-piperazin-1-ylethane-1,1,2,2-tetramine (CID 175066978) is 1-piperazin-1-ylethane-1,1,2,2-tetramine.
What is the SMILES notation for 1-piperazin-1-ylethane-1,1,2,2-tetramine?
The canonical SMILES for 1-piperazin-1-ylethane-1,1,2,2-tetramine is NC(N)C(N)(N)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylethane-1,1,2,2-tetramine?
The InChIKey is QXMGBBUORSXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N6/c7-5(8)6(9,10)12-3-1-11-2-4-12/h5,11H,1-4,7-10H2.
What are the key properties of 1-piperazin-1-ylethane-1,1,2,2-tetramine?
1-piperazin-1-ylethane-1,1,2,2-tetramine has a molecular weight of 174.25 g/mol, XLogP of -3.29, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylethane-1,1,2,2-tetramine is sourced from PubChem (CID 175066978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).