2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide

C19H32IN5O — CID 110948175

IUPAC2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCN1CCN(C(C)=O)CC1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H31N5O.HI/c1-4-20-19(22-16(2)18-8-6-5-7-9-18)21-10-11-23-12-14-24(15-13-23)17(3)25;/h5-9,16H,4,10-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyOUCAVAOODGHCGI-UHFFFAOYSA-N
MW473.40 g/mol
LogP2.08
Rot. Bonds6

About 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide

2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110948175) has the molecular formula C19H32IN5O and a molecular weight of 473.40 g/mol. Its IUPAC name is 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110948175
Molecular FormulaC19H32IN5O
Molecular Weight473.40 g/mol
Exact Mass473.17
IUPAC Name2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCN1CCN(C(C)=O)CC1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H31N5O.HI/c1-4-20-19(22-16(2)18-8-6-5-7-9-18)21-10-11-23-12-14-24(15-13-23)17(3)25;/h5-9,16H,4,10-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyOUCAVAOODGHCGI-UHFFFAOYSA-N
XLogP2.08
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 52.08
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110948176
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948169
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172842
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127254
1-ethyl-3-(1-phenylethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110950121
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine
CID 110948166
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948955
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-benzyl-3-ethylguanidine;hydroiodide
CID 110952597
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199678
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2,3-diphenylpropyl)-3-ethylguanidine
CID 109389844
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 110977400
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 110948175) is 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide is CCN/C(=N\CCN1CCN(C(C)=O)CC1)NC(C)c1ccccc1.I.
What is the InChIKey of 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is OUCAVAOODGHCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O.HI/c1-4-20-19(22-16(2)18-8-6-5-7-9-18)21-10-11-23-12-14-24(15-13-23)17(3)25;/h5-9,16H,4,10-15H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 473.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110948175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).