N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide

C16H23BrIN3 — CID 111812111

IUPACN'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2cccc(Br)c2)CC1)N1CCCCC1
InChIInChI=1S/C16H22BrN3.HI/c17-14-6-4-5-13(11-14)16(7-8-16)12-19-15(18)20-9-2-1-3-10-20;/h4-6,11H,1-3,7-10,12H2,(H2,18,19);1H
InChIKeyUYOVHLVTTISLFC-UHFFFAOYSA-N
MW464.19 g/mol
LogP3.90
Rot. Bonds3

About N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111812111) has the molecular formula C16H23BrIN3 and a molecular weight of 464.19 g/mol. Its IUPAC name is N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111812111
Molecular FormulaC16H23BrIN3
Molecular Weight464.19 g/mol
Exact Mass463.01
IUPAC NameN'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(c2cccc(Br)c2)CC1)N1CCCCC1
InChIInChI=1S/C16H22BrN3.HI/c17-14-6-4-5-13(11-14)16(7-8-16)12-19-15(18)20-9-2-1-3-10-20;/h4-6,11H,1-3,7-10,12H2,(H2,18,19);1H
InChIKeyUYOVHLVTTISLFC-UHFFFAOYSA-N
XLogP3.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.19
LogP ≤ 53.90
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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Related Compounds

N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111812086
2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111091599
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
2-[[1-(3-bromophenyl)cyclobutyl]methyl]-1,1-diethylguanidine
CID 111077393
2-[[1-(3-bromophenyl)cyclobutyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111077400
N'-[[1-(4-bromophenyl)cyclobutyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077358
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
CID 111812092
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-[[1-(3-methoxyphenyl)cyclopentyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807341

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111812111) is N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CC1(c2cccc(Br)c2)CC1)N1CCCCC1.
What is the InChIKey of N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is UYOVHLVTTISLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3.HI/c17-14-6-4-5-13(11-14)16(7-8-16)12-19-15(18)20-9-2-1-3-10-20;/h4-6,11H,1-3,7-10,12H2,(H2,18,19);1H.
What are the key properties of N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 464.19 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111812111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).