5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide

C15H23FN4O — CID 76905940

IUPAC5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESNC(CCCCN1CCN(c2ccccc2F)CC1)=NO
InChIInChI=1S/C15H23FN4O/c16-13-5-1-2-6-14(13)20-11-9-19(10-12-20)8-4-3-7-15(17)18-21/h1-2,5-6,21H,3-4,7-12H2,(H2,17,18)
InChIKeyPMJWIVCCAOAYNV-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.86
Rot. Bonds6

About 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide

5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 76905940) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
PubChem CID76905940
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESNC(CCCCN1CCN(c2ccccc2F)CC1)=NO
InChIInChI=1S/C15H23FN4O/c16-13-5-1-2-6-14(13)20-11-9-19(10-12-20)8-4-3-7-15(17)18-21/h1-2,5-6,21H,3-4,7-12H2,(H2,17,18)
InChIKeyPMJWIVCCAOAYNV-UHFFFAOYSA-N
XLogP1.86
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 76905955
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 22029307
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 76905947
1-cyclopropyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide
CID 110031138
1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 2982236
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide (CID 76905940) is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide is NC(CCCCN1CCN(c2ccccc2F)CC1)=NO.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is PMJWIVCCAOAYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c16-13-5-1-2-6-14(13)20-11-9-19(10-12-20)8-4-3-7-15(17)18-21/h1-2,5-6,21H,3-4,7-12H2,(H2,17,18).
What are the key properties of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 294.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide is sourced from PubChem (CID 76905940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).