N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide

C15H24FN5 — CID 116511221

IUPACN-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H24FN5/c1-2-3-8-18-15(19-17)21-11-9-20(10-12-21)14-7-5-4-6-13(14)16/h4-7H,2-3,8-12,17H2,1H3,(H,18,19)
InChIKeyDOBFTCGCJHAJNW-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.57
Rot. Bonds4

About N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide

N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide (PubChem CID 116511221) has the molecular formula C15H24FN5 and a molecular weight of 293.39 g/mol. Its IUPAC name is N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
PubChem CID116511221
Molecular FormulaC15H24FN5
Molecular Weight293.39 g/mol
Exact Mass293.20
IUPAC NameN-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H24FN5/c1-2-3-8-18-15(19-17)21-11-9-20(10-12-21)14-7-5-4-6-13(14)16/h4-7H,2-3,8-12,17H2,1H3,(H,18,19)
InChIKeyDOBFTCGCJHAJNW-UHFFFAOYSA-N
XLogP1.57
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
CID 116512916
N-amino-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 116512996
N-ethyl-4-(2-fluorophenyl)-N'-(3-propan-2-yloxypropyl)piperazine-1-carboximidamide
CID 111148463
N-ethyl-4-(2-fluorophenyl)-N'-[4-(4-methylpiperazin-1-yl)butyl]piperazine-1-carboximidamide
CID 111148962
N-ethyl-4-(2-fluorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide
CID 111148489
N-ethyl-4-(2-fluorophenyl)-N'-(3-propan-2-yloxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111148462
methyl 5-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111149133
N-ethyl-4-(2-fluorophenyl)-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboximidamide
CID 111148361
N-ethyl-4-(2-fluorophenyl)-N'-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 111148369
N-ethyl-4-(2-fluorophenyl)-N'-[2-(methanesulfonamido)ethyl]piperazine-1-carboximidamide
CID 111148643
N-cyclopropyl-4-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]butanamide;hydroiodide
CID 111148810
N-ethyl-4-(2-fluorophenyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111149023

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide (CID 116511221) is N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide is CCCC/N=C(\NN)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide?
The InChIKey is DOBFTCGCJHAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5/c1-2-3-8-18-15(19-17)21-11-9-20(10-12-21)14-7-5-4-6-13(14)16/h4-7H,2-3,8-12,17H2,1H3,(H,18,19).
What are the key properties of N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide?
N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide has a molecular weight of 293.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 116511221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).