1-methanidyl-4-prop-2-enylpiperazin-1-ium

C8H16N2 — CID 20723124

IUPAC1-methanidyl-4-prop-2-enylpiperazin-1-ium
SMILESC=CCN1CC[NH+]([CH2-])CC1
InChIInChI=1S/C8H16N2/c1-3-4-10-7-5-9(2)6-8-10/h3,9H,1-2,4-8H2
InChIKeyIOQZMEYXHUSQKM-UHFFFAOYSA-N
MW140.23 g/mol
LogP-0.84
Rot. Bonds2

About 1-methanidyl-4-prop-2-enylpiperazin-1-ium

1-methanidyl-4-prop-2-enylpiperazin-1-ium (PubChem CID 20723124) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methanidyl-4-prop-2-enylpiperazin-1-ium.

Molecular Properties

Compound Name1-methanidyl-4-prop-2-enylpiperazin-1-ium
PubChem CID20723124
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-methanidyl-4-prop-2-enylpiperazin-1-ium
SMILESC=CCN1CC[NH+]([CH2-])CC1
InChIInChI=1S/C8H16N2/c1-3-4-10-7-5-9(2)6-8-10/h3,9H,1-2,4-8H2
InChIKeyIOQZMEYXHUSQKM-UHFFFAOYSA-N
XLogP-0.84
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Diallylpiperazine
CID 246344
1-Allylpiperazine
CID 806422
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
1-(3-Diallylaminopropyl)piperazine
CID 2735926
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
1-Allyl-2,5-dimethylpiperazine
CID 4135660
N1,N2-Di-2-propen-1-yl-1,2-ethanediamine
CID 408155
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
N-allyl-3-methylpiperazine
CID 23447962
1-(4-Fluorobut-2-enyl)piperazine
CID 139714684
2-(4-Prop-2-enylpiperazin-1-yl)ethanamine
CID 4742418

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-4-prop-2-enylpiperazin-1-ium?
The IUPAC name of 1-methanidyl-4-prop-2-enylpiperazin-1-ium (CID 20723124) is 1-methanidyl-4-prop-2-enylpiperazin-1-ium.
What is the SMILES notation for 1-methanidyl-4-prop-2-enylpiperazin-1-ium?
The canonical SMILES for 1-methanidyl-4-prop-2-enylpiperazin-1-ium is C=CCN1CC[NH+]([CH2-])CC1.
What is the InChIKey of 1-methanidyl-4-prop-2-enylpiperazin-1-ium?
The InChIKey is IOQZMEYXHUSQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-10-7-5-9(2)6-8-10/h3,9H,1-2,4-8H2.
What are the key properties of 1-methanidyl-4-prop-2-enylpiperazin-1-ium?
1-methanidyl-4-prop-2-enylpiperazin-1-ium has a molecular weight of 140.23 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-4-prop-2-enylpiperazin-1-ium is sourced from PubChem (CID 20723124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).