methyl 2-piperazin-1-ylprop-2-enimidate

C8H15N3O — CID 123269367

IUPACmethyl 2-piperazin-1-ylprop-2-enimidate
SMILES[H]/N=C(\OC)C(=C)N1CCNCC1
InChIInChI=1S/C8H15N3O/c1-7(8(9)12-2)11-5-3-10-4-6-11/h9-10H,1,3-6H2,2H3/b9-8-
InChIKeyHWHIWIGHFNQLNZ-HJWRWDBZSA-N
MW169.23 g/mol
LogP0.03
Rot. Bonds2

About methyl 2-piperazin-1-ylprop-2-enimidate

methyl 2-piperazin-1-ylprop-2-enimidate (PubChem CID 123269367) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is methyl 2-piperazin-1-ylprop-2-enimidate.

Molecular Properties

Compound Namemethyl 2-piperazin-1-ylprop-2-enimidate
PubChem CID123269367
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Namemethyl 2-piperazin-1-ylprop-2-enimidate
SMILES[H]/N=C(\OC)C(=C)N1CCNCC1
InChIInChI=1S/C8H15N3O/c1-7(8(9)12-2)11-5-3-10-4-6-11/h9-10H,1,3-6H2,2H3/b9-8-
InChIKeyHWHIWIGHFNQLNZ-HJWRWDBZSA-N
XLogP0.03
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-ylprop-2-enimidate?
The IUPAC name of methyl 2-piperazin-1-ylprop-2-enimidate (CID 123269367) is methyl 2-piperazin-1-ylprop-2-enimidate.
What is the SMILES notation for methyl 2-piperazin-1-ylprop-2-enimidate?
The canonical SMILES for methyl 2-piperazin-1-ylprop-2-enimidate is [H]/N=C(\OC)C(=C)N1CCNCC1.
What is the InChIKey of methyl 2-piperazin-1-ylprop-2-enimidate?
The InChIKey is HWHIWIGHFNQLNZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(8(9)12-2)11-5-3-10-4-6-11/h9-10H,1,3-6H2,2H3/b9-8-.
What are the key properties of methyl 2-piperazin-1-ylprop-2-enimidate?
methyl 2-piperazin-1-ylprop-2-enimidate has a molecular weight of 169.23 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperazin-1-ylprop-2-enimidate is sourced from PubChem (CID 123269367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).