N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide

C19H22IN3 — CID 73333355

IUPACN-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
SMILESCc1ccc(/N=C(/Nc2ccc(I)cc2)N2CCCCC2)cc1
InChIInChI=1S/C19H22IN3/c1-15-5-9-17(10-6-15)21-19(23-13-3-2-4-14-23)22-18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22)
InChIKeyFIJAAZRTENVJBL-UHFFFAOYSA-N
MW419.31 g/mol
LogP5.19
Rot. Bonds2

About N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide

N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide (PubChem CID 73333355) has the molecular formula C19H22IN3 and a molecular weight of 419.31 g/mol. Its IUPAC name is N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
PubChem CID73333355
Molecular FormulaC19H22IN3
Molecular Weight419.31 g/mol
Exact Mass419.09
IUPAC NameN-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
SMILESCc1ccc(/N=C(/Nc2ccc(I)cc2)N2CCCCC2)cc1
InChIInChI=1S/C19H22IN3/c1-15-5-9-17(10-6-15)21-19(23-13-3-2-4-14-23)22-18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22)
InChIKeyFIJAAZRTENVJBL-UHFFFAOYSA-N
XLogP5.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide?
The IUPAC name of N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide (CID 73333355) is N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide?
The canonical SMILES for N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide is Cc1ccc(/N=C(/Nc2ccc(I)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide?
The InChIKey is FIJAAZRTENVJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN3/c1-15-5-9-17(10-6-15)21-19(23-13-3-2-4-14-23)22-18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22).
What are the key properties of N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide?
N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide has a molecular weight of 419.31 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide is sourced from PubChem (CID 73333355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).