N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide

C17H24N4O — CID 75420816

IUPACN-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide
SMILESC#CC/N=C(\NCC)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H24N4O/c1-4-10-19-17(18-5-2)21-13-11-20(12-14-21)15-8-6-7-9-16(15)22-3/h1,6-9H,5,10-14H2,2-3H3,(H,18,19)
InChIKeyGBWHXMBUFLZUMU-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.42
Rot. Bonds4

About N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide

N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide (PubChem CID 75420816) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide
PubChem CID75420816
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide
SMILESC#CC/N=C(\NCC)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H24N4O/c1-4-10-19-17(18-5-2)21-13-11-20(12-14-21)15-8-6-7-9-16(15)22-3/h1,6-9H,5,10-14H2,2-3H3,(H,18,19)
InChIKeyGBWHXMBUFLZUMU-UHFFFAOYSA-N
XLogP1.42
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(dimethylamino)propyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133312
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133433
N-ethyl-4-(2-methoxyphenyl)-N'-(2-methylsulfonylethyl)piperazine-1-carboximidamide
CID 111132845
N-ethyl-4-(2-methoxyphenyl)-N'-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111133661
2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111133838
N'-(4-ethoxybutyl)-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133402
N-ethyl-4-(2-methoxyphenyl)-N'-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111133563
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111510558
4-(2,5-difluorophenyl)-N-ethyl-N'-prop-2-ynylpiperazine-1-carboximidamide
CID 109451231
N-[2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111133630
N-ethyl-4-[[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 111132954
N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133196

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide (CID 75420816) is N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide is C#CC/N=C(\NCC)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide?
The InChIKey is GBWHXMBUFLZUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-10-19-17(18-5-2)21-13-11-20(12-14-21)15-8-6-7-9-16(15)22-3/h1,6-9H,5,10-14H2,2-3H3,(H,18,19).
What are the key properties of N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide?
N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide has a molecular weight of 300.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyphenyl)-N'-prop-2-ynylpiperazine-1-carboximidamide is sourced from PubChem (CID 75420816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).