1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine

C20H34N4O — CID 67948939

IUPAC1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine
SMILESC=CCN1CCN(C(C=C)OC(C=C)N2CCN(CC=C)CC2)CC1
InChIInChI=1S/C20H34N4O/c1-5-9-21-11-15-23(16-12-21)19(7-3)25-20(8-4)24-17-13-22(10-6-2)14-18-24/h5-8,19-20H,1-4,9-18H2
InChIKeyLUWMURUWQOGRNN-UHFFFAOYSA-N
MW346.52 g/mol
LogP1.63
Rot. Bonds10

About 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine

1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine (PubChem CID 67948939) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine
PubChem CID67948939
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine
SMILESC=CCN1CCN(C(C=C)OC(C=C)N2CCN(CC=C)CC2)CC1
InChIInChI=1S/C20H34N4O/c1-5-9-21-11-15-23(16-12-21)19(7-3)25-20(8-4)24-17-13-22(10-6-2)14-18-24/h5-8,19-20H,1-4,9-18H2
InChIKeyLUWMURUWQOGRNN-UHFFFAOYSA-N
XLogP1.63
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine?
The IUPAC name of 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine (CID 67948939) is 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine.
What is the SMILES notation for 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine?
The canonical SMILES for 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine is C=CCN1CCN(C(C=C)OC(C=C)N2CCN(CC=C)CC2)CC1.
What is the InChIKey of 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine?
The InChIKey is LUWMURUWQOGRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-5-9-21-11-15-23(16-12-21)19(7-3)25-20(8-4)24-17-13-22(10-6-2)14-18-24/h5-8,19-20H,1-4,9-18H2.
What are the key properties of 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine?
1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine has a molecular weight of 346.52 g/mol, XLogP of 1.63, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine is sourced from PubChem (CID 67948939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).