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

C15H24N4O — CID 77011934

IUPAC2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCCc1ccc(CN2CCN(CC(N)=NO)CC2)cc1
InChIInChI=1S/C15H24N4O/c1-2-13-3-5-14(6-4-13)11-18-7-9-19(10-8-18)12-15(16)17-20/h3-6,20H,2,7-12H2,1H3,(H2,16,17)
InChIKeyNOLKBICESSDONX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.11
Rot. Bonds5

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

2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 77011934) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID77011934
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCCc1ccc(CN2CCN(CC(N)=NO)CC2)cc1
InChIInChI=1S/C15H24N4O/c1-2-13-3-5-14(6-4-13)11-18-7-9-19(10-8-18)12-15(16)17-20/h3-6,20H,2,7-12H2,1H3,(H2,16,17)
InChIKeyNOLKBICESSDONX-UHFFFAOYSA-N
XLogP1.11
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.11
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-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012521
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 102616251
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 63386568
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide
CID 139542607
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]butanethioamide
CID 63341575
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide (CID 77011934) is 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide is CCc1ccc(CN2CCN(CC(N)=NO)CC2)cc1.
What is the InChIKey of 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is NOLKBICESSDONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-13-3-5-14(6-4-13)11-18-7-9-19(10-8-18)12-15(16)17-20/h3-6,20H,2,7-12H2,1H3,(H2,16,17).
What are the key properties of 2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 276.38 g/mol, XLogP of 1.11, 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'-hydroxyethanimidamide is sourced from PubChem (CID 77011934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).