1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine

C12H23N3 — CID 21426355

IUPAC1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine
SMILESC=CCNC.C=CN1CCN(C=C)CC1
InChIInChI=1S/C8H14N2.C4H9N/c1-3-9-5-7-10(4-2)8-6-9;1-3-4-5-2/h3-4H,1-2,5-8H2;3,5H,1,4H2,2H3
InChIKeyHZEBWXWGHFPHIH-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.28
Rot. Bonds4

About 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine

1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine (PubChem CID 21426355) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine
PubChem CID21426355
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine
SMILESC=CCNC.C=CN1CCN(C=C)CC1
InChIInChI=1S/C8H14N2.C4H9N/c1-3-9-5-7-10(4-2)8-6-9;1-3-4-5-2/h3-4H,1-2,5-8H2;3,5H,1,4H2,2H3
InChIKeyHZEBWXWGHFPHIH-UHFFFAOYSA-N
XLogP1.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Allylpiperazine
CID 806422
1-Allyl-2,5-dimethylpiperazine
CID 4135660
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
1-(3-Diallylaminopropyl)piperazine
CID 2735926
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
1-[(E)-prop-1-enyl]piperazine
CID 17883578
N-allyl-3-methylpiperazine
CID 23447962
1,4-Dipropenylpiperazine
CID 134821216
2-(4-Prop-2-enylpiperazin-1-yl)ethanamine
CID 4742418
N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 171323299

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine?
The IUPAC name of 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine (CID 21426355) is 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine.
What is the SMILES notation for 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine?
The canonical SMILES for 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine is C=CCNC.C=CN1CCN(C=C)CC1.
What is the InChIKey of 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine?
The InChIKey is HZEBWXWGHFPHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C4H9N/c1-3-9-5-7-10(4-2)8-6-9;1-3-4-5-2/h3-4H,1-2,5-8H2;3,5H,1,4H2,2H3.
What are the key properties of 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine?
1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine is sourced from PubChem (CID 21426355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).