N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide

C18H30FN5 — CID 10065552

IUPACN'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(=N\CCCCCCN)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H30FN5/c1-23-12-14-24(15-13-23)18(21-11-5-3-2-4-10-20)22-17-8-6-16(19)7-9-17/h6-9H,2-5,10-15,20H2,1H3,(H,21,22)
InChIKeyJDUCOFZALUDVQW-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.36
Rot. Bonds7

About N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide

N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide (PubChem CID 10065552) has the molecular formula C18H30FN5 and a molecular weight of 335.47 g/mol. Its IUPAC name is N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
PubChem CID10065552
Molecular FormulaC18H30FN5
Molecular Weight335.47 g/mol
Exact Mass335.25
IUPAC NameN'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(=N\CCCCCCN)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H30FN5/c1-23-12-14-24(15-13-23)18(21-11-5-3-2-4-10-20)22-17-8-6-16(19)7-9-17/h6-9H,2-5,10-15,20H2,1H3,(H,21,22)
InChIKeyJDUCOFZALUDVQW-UHFFFAOYSA-N
XLogP2.36
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.36
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'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide (CID 10065552) is N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(=N\CCCCCCN)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide?
The InChIKey is JDUCOFZALUDVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN5/c1-23-12-14-24(15-13-23)18(21-11-5-3-2-4-10-20)22-17-8-6-16(19)7-9-17/h6-9H,2-5,10-15,20H2,1H3,(H,21,22).
What are the key properties of N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide?
N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide has a molecular weight of 335.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-aminohexyl)-N-(4-fluorophenyl)-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 10065552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).