N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide

C15H21BrIN3 — CID 111096242

IUPACN'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CC1c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C15H20BrN3.HI/c16-12-6-4-11(5-7-12)13-10-14(13)18-15(17)19-8-2-1-3-9-19;/h4-7,13-14H,1-3,8-10H2,(H2,17,18);1H
InChIKeyAGFJLLUMTMHWRN-UHFFFAOYSA-N
MW450.16 g/mol
LogP3.72
Rot. Bonds2

About N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111096242) has the molecular formula C15H21BrIN3 and a molecular weight of 450.16 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111096242
Molecular FormulaC15H21BrIN3
Molecular Weight450.16 g/mol
Exact Mass449.00
IUPAC NameN'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CC1c1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C15H20BrN3.HI/c16-12-6-4-11(5-7-12)13-10-14(13)18-15(17)19-8-2-1-3-9-19;/h4-7,13-14H,1-3,8-10H2,(H2,17,18);1H
InChIKeyAGFJLLUMTMHWRN-UHFFFAOYSA-N
XLogP3.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.16
LogP ≤ 53.72
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'-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]azepane-1-carboximidamide
CID 120606046
N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide
CID 122095835
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120606097
2-[2-(4-bromophenyl)cyclopropyl]-1-propan-2-ylguanidine;hydroiodide
CID 111096204
2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030869
[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 66796086
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154012553
N'-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboximidamide
CID 122097958
N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide
CID 99849055

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide (CID 111096242) is N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\C1CC1c1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is AGFJLLUMTMHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3.HI/c16-12-6-4-11(5-7-12)13-10-14(13)18-15(17)19-8-2-1-3-9-19;/h4-7,13-14H,1-3,8-10H2,(H2,17,18);1H.
What are the key properties of N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 450.16 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)cyclopropyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111096242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).