N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide

C16H26FN5 — CID 10380508

IUPACN'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(=N\CCCCN)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN5/c1-21-10-12-22(13-11-21)16(19-9-3-2-8-18)20-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13,18H2,1H3,(H,19,20)
InChIKeyQIVZXZYVXHAWNC-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.58
Rot. Bonds5

About N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide

N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide (PubChem CID 10380508) has the molecular formula C16H26FN5 and a molecular weight of 307.42 g/mol. Its IUPAC name is N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
PubChem CID10380508
Molecular FormulaC16H26FN5
Molecular Weight307.42 g/mol
Exact Mass307.22
IUPAC NameN'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(=N\CCCCN)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN5/c1-21-10-12-22(13-11-21)16(19-9-3-2-8-18)20-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13,18H2,1H3,(H,19,20)
InChIKeyQIVZXZYVXHAWNC-UHFFFAOYSA-N
XLogP1.58
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide (CID 10380508) is N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(=N\CCCCN)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide?
The InChIKey is QIVZXZYVXHAWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN5/c1-21-10-12-22(13-11-21)16(19-9-3-2-8-18)20-15-6-4-14(17)5-7-15/h4-7H,2-3,8-13,18H2,1H3,(H,19,20).
What are the key properties of N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide?
N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide has a molecular weight of 307.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobutyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 10380508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).