2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride

C9H19Cl2N3O — CID 44890715

IUPAC2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride
SMILESC=CCN1CCN(C(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C9H17N3O.2ClH/c1-2-3-11-4-6-12(7-5-11)9(13)8-10;;/h2H,1,3-8,10H2;2*1H
InChIKeyLHHDXVLKEOWJHO-UHFFFAOYSA-N
MW256.18 g/mol
LogP0.12
Rot. Bonds3

About 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride

2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 44890715) has the molecular formula C9H19Cl2N3O and a molecular weight of 256.18 g/mol. Its IUPAC name is 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID44890715
Molecular FormulaC9H19Cl2N3O
Molecular Weight256.18 g/mol
Exact Mass255.09
IUPAC Name2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride
SMILESC=CCN1CCN(C(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C9H17N3O.2ClH/c1-2-3-11-4-6-12(7-5-11)9(13)8-10;;/h2H,1,3-8,10H2;2*1H
InChIKeyLHHDXVLKEOWJHO-UHFFFAOYSA-N
XLogP0.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride (CID 44890715) is 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride is C=CCN1CCN(C(=O)CN)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is LHHDXVLKEOWJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.2ClH/c1-2-3-11-4-6-12(7-5-11)9(13)8-10;;/h2H,1,3-8,10H2;2*1H.
What are the key properties of 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride?
2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 256.18 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 44890715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).