1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine

C11H23N5O — CID 110927200

IUPAC1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C11H23N5O/c1-10(17)16-8-6-15(7-9-16)5-4-14-11(12-2)13-3/h4-9H2,1-3H3,(H2,12,13,14)
InChIKeyMYZLYKCZWFKSOB-UHFFFAOYSA-N
MW241.34 g/mol
LogP-1.05
Rot. Bonds3

About 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine

1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine (PubChem CID 110927200) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine
PubChem CID110927200
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C11H23N5O/c1-10(17)16-8-6-15(7-9-16)5-4-14-11(12-2)13-3/h4-9H2,1-3H3,(H2,12,13,14)
InChIKeyMYZLYKCZWFKSOB-UHFFFAOYSA-N
XLogP-1.05
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109377263
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473412
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473413
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474322
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109474323
4-acetyl-N-ethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperazine-1-carboximidamide;hydroiodide
CID 110963468
4-acetyl-N-ethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperazine-1-carboximidamide
CID 110963469
2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111464964
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111493635
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111493636
4-acetyl-N-ethyl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111546956
4-acetyl-N-ethyl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111546957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine (CID 110927200) is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine is C/N=C(\NC)NCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine?
The InChIKey is MYZLYKCZWFKSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-10(17)16-8-6-15(7-9-16)5-4-14-11(12-2)13-3/h4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine?
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine has a molecular weight of 241.34 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110927200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).