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

C18H29FN4 — CID 24879519

IUPACN'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide
SMILESNCCCCCC/N=C(/Nc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H29FN4/c19-16-8-10-17(11-9-16)22-18(23-14-6-3-7-15-23)21-13-5-2-1-4-12-20/h8-11H,1-7,12-15,20H2,(H,21,22)
InChIKeyOFTIMRCLWILMBI-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.60
Rot. Bonds7

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

N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide (PubChem CID 24879519) has the molecular formula C18H29FN4 and a molecular weight of 320.46 g/mol. Its IUPAC name is N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide
PubChem CID24879519
Molecular FormulaC18H29FN4
Molecular Weight320.46 g/mol
Exact Mass320.24
IUPAC NameN'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide
SMILESNCCCCCC/N=C(/Nc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H29FN4/c19-16-8-10-17(11-9-16)22-18(23-14-6-3-7-15-23)21-13-5-2-1-4-12-20/h8-11H,1-7,12-15,20H2,(H,21,22)
InChIKeyOFTIMRCLWILMBI-UHFFFAOYSA-N
XLogP3.60
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)piperidine-1-carboximidamide?
The IUPAC name of N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide (CID 24879519) is N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide is NCCCCCC/N=C(/Nc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide?
The InChIKey is OFTIMRCLWILMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4/c19-16-8-10-17(11-9-16)22-18(23-14-6-3-7-15-23)21-13-5-2-1-4-12-20/h8-11H,1-7,12-15,20H2,(H,21,22).
What are the key properties of N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide?
N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide has a molecular weight of 320.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-aminohexyl)-N-(4-fluorophenyl)piperidine-1-carboximidamide is sourced from PubChem (CID 24879519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).