N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide

C14H21BrIN3O — CID 111089024

IUPACN'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCOc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H20BrN3O.HI/c15-12-4-6-13(7-5-12)19-11-8-17-14(16)18-9-2-1-3-10-18;/h4-7H,1-3,8-11H2,(H2,16,17);1H
InChIKeyZFTBOWKJZPWSBH-UHFFFAOYSA-N
MW454.15 g/mol
LogP3.25
Rot. Bonds4

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

N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111089024) has the molecular formula C14H21BrIN3O and a molecular weight of 454.15 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111089024
Molecular FormulaC14H21BrIN3O
Molecular Weight454.15 g/mol
Exact Mass452.99
IUPAC NameN'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCOc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H20BrN3O.HI/c15-12-4-6-13(7-5-12)19-11-8-17-14(16)18-9-2-1-3-10-18;/h4-7H,1-3,8-11H2,(H2,16,17);1H
InChIKeyZFTBOWKJZPWSBH-UHFFFAOYSA-N
XLogP3.25
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
CID 111060823
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
N'-[2-(4-bromophenoxy)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111089021
N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
CID 111072067
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111076365
N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 75511965
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111100994
N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920656
3-(4-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60751054

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111089024) is N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCOc1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is ZFTBOWKJZPWSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O.HI/c15-12-4-6-13(7-5-12)19-11-8-17-14(16)18-9-2-1-3-10-18;/h4-7H,1-3,8-11H2,(H2,16,17);1H.
What are the key properties of N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 454.15 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111089024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).