1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine

C13H26N4 — CID 18547144

IUPAC1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
SMILESCC=C(CN1CCNCC1)CN1CCNCC1
InChIInChI=1S/C13H26N4/c1-2-13(11-16-7-3-14-4-8-16)12-17-9-5-15-6-10-17/h2,14-15H,3-12H2,1H3
InChIKeyLOLLCDDEZRFTKK-UHFFFAOYSA-N
MW238.38 g/mol
LogP-0.26
Rot. Bonds4

About 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine

1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine (PubChem CID 18547144) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
PubChem CID18547144
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
SMILESCC=C(CN1CCNCC1)CN1CCNCC1
InChIInChI=1S/C13H26N4/c1-2-13(11-16-7-3-14-4-8-16)12-17-9-5-15-6-10-17/h2,14-15H,3-12H2,1H3
InChIKeyLOLLCDDEZRFTKK-UHFFFAOYSA-N
XLogP-0.26
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-(2-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026988
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70025514
1-[(Z)-2-benzylbut-2-enyl]piperazine
CID 22628674
(1E,3E)-1-iodo-4-(piperazin-1-ylmethyl)hexa-1,3-dien-1-amine
CID 134406327
1-[(E)-2-ethylhex-2-enyl]piperazine
CID 20521851
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
1-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
CID 70025049
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
ethane;2-piperazin-1-ylacetic acid
CID 143723779
ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197718

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine?
The IUPAC name of 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine (CID 18547144) is 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine?
The canonical SMILES for 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine is CC=C(CN1CCNCC1)CN1CCNCC1.
What is the InChIKey of 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine?
The InChIKey is LOLLCDDEZRFTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-2-13(11-16-7-3-14-4-8-16)12-17-9-5-15-6-10-17/h2,14-15H,3-12H2,1H3.
What are the key properties of 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine?
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine has a molecular weight of 238.38 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine is sourced from PubChem (CID 18547144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).