3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide

C16H26N4O — CID 77000776

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
SMILESCCC1CN(C(CC(N)=NO)c2ccccc2)CCN1C
InChIInChI=1S/C16H26N4O/c1-3-14-12-20(10-9-19(14)2)15(11-16(17)18-21)13-7-5-4-6-8-13/h4-8,14-15,21H,3,9-12H2,1-2H3,(H2,17,18)
InChIKeyIIFNKTVPBDFQFI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.89
Rot. Bonds5

About 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide

3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 77000776) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
PubChem CID77000776
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
SMILESCCC1CN(C(CC(N)=NO)c2ccccc2)CCN1C
InChIInChI=1S/C16H26N4O/c1-3-14-12-20(10-9-19(14)2)15(11-16(17)18-21)13-7-5-4-6-8-13/h4-8,14-15,21H,3,9-12H2,1-2H3,(H2,17,18)
InChIKeyIIFNKTVPBDFQFI-UHFFFAOYSA-N
XLogP1.89
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.89
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethyl-4-methylpiperazin-1-yl)-3-phenylpropanimidamide
CID 63610075
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-phenylpropanimidamide
CID 76981291
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77000767
N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide
CID 112625722
N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide
CID 55117730
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949126
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949092
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
3-(4,4-dimethylazepan-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77064506
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide (CID 77000776) is 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide is CCC1CN(C(CC(N)=NO)c2ccccc2)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is IIFNKTVPBDFQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-14-12-20(10-9-19(14)2)15(11-16(17)18-21)13-7-5-4-6-8-13/h4-8,14-15,21H,3,9-12H2,1-2H3,(H2,17,18).
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide?
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 290.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 77000776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).