2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide

C16H26N4O — CID 77012521

IUPAC2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCCc1ccc(CN2CCN(C(C)C(N)=NO)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-3-14-4-6-15(7-5-14)12-19-8-10-20(11-9-19)13(2)16(17)18-21/h4-7,13,21H,3,8-12H2,1-2H3,(H2,17,18)
InChIKeyZLAIUYZEUKGBMG-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.50
Rot. Bonds5

About 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 77012521) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID77012521
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCCc1ccc(CN2CCN(C(C)C(N)=NO)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-3-14-4-6-15(7-5-14)12-19-8-10-20(11-9-19)13(2)16(17)18-21/h4-7,13,21H,3,8-12H2,1-2H3,(H2,17,18)
InChIKeyZLAIUYZEUKGBMG-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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

2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012504
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 82918142
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 103038149
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310090
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011934
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]butanethioamide
CID 63341575
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341528
2-[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77103696
N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide
CID 77012516
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide (CID 77012521) is 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide is CCc1ccc(CN2CCN(C(C)C(N)=NO)CC2)cc1.
What is the InChIKey of 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is ZLAIUYZEUKGBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-14-4-6-15(7-5-14)12-19-8-10-20(11-9-19)13(2)16(17)18-21/h4-7,13,21H,3,8-12H2,1-2H3,(H2,17,18).
What are the key properties of 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 290.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77012521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).