N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide

C14H20BrFIN3 — CID 111076048

IUPACN'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccc(F)c(Br)c1)N1CCCCC1
InChIInChI=1S/C14H19BrFN3.HI/c15-12-10-11(4-5-13(12)16)6-7-18-14(17)19-8-2-1-3-9-19;/h4-5,10H,1-3,6-9H2,(H2,17,18);1H
InChIKeyIMQVHVKIGSIUSJ-UHFFFAOYSA-N
MW456.14 g/mol
LogP3.55
Rot. Bonds3

About N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111076048) has the molecular formula C14H20BrFIN3 and a molecular weight of 456.14 g/mol. Its IUPAC name is N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111076048
Molecular FormulaC14H20BrFIN3
Molecular Weight456.14 g/mol
Exact Mass454.99
IUPAC NameN'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccc(F)c(Br)c1)N1CCCCC1
InChIInChI=1S/C14H19BrFN3.HI/c15-12-10-11(4-5-13(12)16)6-7-18-14(17)19-8-2-1-3-9-19;/h4-5,10H,1-3,6-9H2,(H2,17,18);1H
InChIKeyIMQVHVKIGSIUSJ-UHFFFAOYSA-N
XLogP3.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.14
LogP ≤ 53.55
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'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
2-[2-(3-bromo-4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 110917301
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026079
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
2-[2-(3-bromo-4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111076008
N-[2-(3-bromo-4-fluorophenyl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110934328
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111026080
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
2-[2-(3-bromo-4-fluorophenyl)ethyl]-1-phenylguanidine;hydroiodide
CID 110926291
N'-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]azepane-1-carboximidamide;hydrochloride
CID 162311545
N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
CID 75513059
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111076048) is N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCc1ccc(F)c(Br)c1)N1CCCCC1.
What is the InChIKey of N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is IMQVHVKIGSIUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3.HI/c15-12-10-11(4-5-13(12)16)6-7-18-14(17)19-8-2-1-3-9-19;/h4-5,10H,1-3,6-9H2,(H2,17,18);1H.
What are the key properties of N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 456.14 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111076048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).