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

C19H22BrN3 — CID 102432702

IUPACN-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
SMILESCc1ccc(/N=C(/Nc2ccc(Br)cc2)N2CCCCC2)cc1
InChIInChI=1S/C19H22BrN3/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)
InChIKeyMSUMGJGJEZCJER-UHFFFAOYSA-N
MW372.31 g/mol
LogP5.34
Rot. Bonds2

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

N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide (PubChem CID 102432702) has the molecular formula C19H22BrN3 and a molecular weight of 372.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
PubChem CID102432702
Molecular FormulaC19H22BrN3
Molecular Weight372.31 g/mol
Exact Mass371.10
IUPAC NameN-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide
SMILESCc1ccc(/N=C(/Nc2ccc(Br)cc2)N2CCCCC2)cc1
InChIInChI=1S/C19H22BrN3/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)
InChIKeyMSUMGJGJEZCJER-UHFFFAOYSA-N
XLogP5.34
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.31
LogP ≤ 55.34
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'}

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Related Compounds

N,N''-Bis(4-bromo-2-methylphenyl)guanidine
CID 14125583
1-Benzyl-3-(4-bromophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711301
6-Phenyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 2794241
N'-(4-bromophenyl)-N-(3,4-dimethylphenyl)morpholine-4-carboximidamide
CID 4855271
1-(4-Bromo-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 12148065
1-(4-Methylphenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 24213637
2-(2-Bromophenyl)-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45262005
2-(3-Bromophenyl)-1-(3-ethylphenyl)-1-methylguanidine;hydrochloride
CID 45265062
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-N''-phenyl-guanidine
CID 10246417
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-N''-phenyl-N''''-propyl-guanidine
CID 11740410
1,1-Dibenzyl-3-(4-bromophenyl)urea
CID 4454830
Benzenecarboximidamide, N-(4-bromophenyl)-N'-cyclohexyl-, monohydrochloride
CID 3043200

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide?
The IUPAC name of N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide (CID 102432702) is N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide?
The canonical SMILES for N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide is Cc1ccc(/N=C(/Nc2ccc(Br)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide?
The InChIKey is MSUMGJGJEZCJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3/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-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide?
N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide has a molecular weight of 372.31 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-(4-methylphenyl)piperidine-1-carboximidamide is sourced from PubChem (CID 102432702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).