1-piperazin-1-ylprop-2-ene-1,1-diamine

C7H16N4 — CID 66900154

IUPAC1-piperazin-1-ylprop-2-ene-1,1-diamine
SMILESC=CC(N)(N)N1CCNCC1
InChIInChI=1S/C7H16N4/c1-2-7(8,9)11-5-3-10-4-6-11/h2,10H,1,3-6,8-9H2
InChIKeyMGEFOGOYEXDSBD-UHFFFAOYSA-N
MW156.23 g/mol
LogP-1.35
Rot. Bonds2

About 1-piperazin-1-ylprop-2-ene-1,1-diamine

1-piperazin-1-ylprop-2-ene-1,1-diamine (PubChem CID 66900154) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-piperazin-1-ylprop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-piperazin-1-ylprop-2-ene-1,1-diamine
PubChem CID66900154
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name1-piperazin-1-ylprop-2-ene-1,1-diamine
SMILESC=CC(N)(N)N1CCNCC1
InChIInChI=1S/C7H16N4/c1-2-7(8,9)11-5-3-10-4-6-11/h2,10H,1,3-6,8-9H2
InChIKeyMGEFOGOYEXDSBD-UHFFFAOYSA-N
XLogP-1.35
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylprop-2-ene-1,1-diamine?
The IUPAC name of 1-piperazin-1-ylprop-2-ene-1,1-diamine (CID 66900154) is 1-piperazin-1-ylprop-2-ene-1,1-diamine.
What is the SMILES notation for 1-piperazin-1-ylprop-2-ene-1,1-diamine?
The canonical SMILES for 1-piperazin-1-ylprop-2-ene-1,1-diamine is C=CC(N)(N)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylprop-2-ene-1,1-diamine?
The InChIKey is MGEFOGOYEXDSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-2-7(8,9)11-5-3-10-4-6-11/h2,10H,1,3-6,8-9H2.
What are the key properties of 1-piperazin-1-ylprop-2-ene-1,1-diamine?
1-piperazin-1-ylprop-2-ene-1,1-diamine has a molecular weight of 156.23 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylprop-2-ene-1,1-diamine is sourced from PubChem (CID 66900154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).