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

C18H34N4O — CID 67948929

IUPAC1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine
SMILESC=CCN1CCN(CCOCCN2CCN(CC=C)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-3-5-19-7-11-21(12-8-19)15-17-23-18-16-22-13-9-20(6-4-2)10-14-22/h3-4H,1-2,5-18H2
InChIKeyPXLVIAHDGLMLDC-UHFFFAOYSA-N
MW322.50 g/mol
LogP0.61
Rot. Bonds10

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

1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine (PubChem CID 67948929) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine
PubChem CID67948929
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine
SMILESC=CCN1CCN(CCOCCN2CCN(CC=C)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-3-5-19-7-11-21(12-8-19)15-17-23-18-16-22-13-9-20(6-4-2)10-14-22/h3-4H,1-2,5-18H2
InChIKeyPXLVIAHDGLMLDC-UHFFFAOYSA-N
XLogP0.61
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-Prop-2-enyl-4-[1-[1-(4-prop-2-enylpiperazin-1-yl)prop-2-enoxy]prop-2-enyl]piperazine
CID 67948939
N-(2-morpholin-4-ylethyl)-N-prop-2-enylprop-2-en-1-amine
CID 69322008
Methane;1-methyl-4-prop-1-enylpiperazine;4-prop-1-enylmorpholine
CID 162248624
4-[2-(4-Prop-2-enylpiperazin-1-yl)ethyl]morpholine
CID 165394339
4-[2-(1-Prop-2-enylpiperidin-1-ium-1-yl)ethyl]morpholine
CID 409156

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The IUPAC name of 1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine (CID 67948929) is 1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The canonical SMILES for 1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine is C=CCN1CCN(CCOCCN2CCN(CC=C)CC2)CC1.
What is the InChIKey of 1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine?
The InChIKey is PXLVIAHDGLMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-3-5-19-7-11-21(12-8-19)15-17-23-18-16-22-13-9-20(6-4-2)10-14-22/h3-4H,1-2,5-18H2.
What are the key properties of 1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine?
1-prop-2-enyl-4-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine has a molecular weight of 322.50 g/mol, XLogP of 0.61, 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-[2-[2-(4-prop-2-enylpiperazin-1-yl)ethoxy]ethyl]piperazine is sourced from PubChem (CID 67948929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).