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

C18H30IN3O2 — CID 111026079

IUPACN'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOc1ccc(CC/N=C(\N)N2CCCCC2)cc1OCC.I
InChIInChI=1S/C18H29N3O2.HI/c1-3-22-16-9-8-15(14-17(16)23-4-2)10-11-20-18(19)21-12-6-5-7-13-21;/h8-9,14H,3-7,10-13H2,1-2H3,(H2,19,20);1H
InChIKeyYAIQJWUTUGMFNA-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.45
Rot. Bonds7

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

N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111026079) has the molecular formula C18H30IN3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111026079
Molecular FormulaC18H30IN3O2
Molecular Weight447.36 g/mol
Exact Mass447.14
IUPAC NameN'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOc1ccc(CC/N=C(\N)N2CCCCC2)cc1OCC.I
InChIInChI=1S/C18H29N3O2.HI/c1-3-22-16-9-8-15(14-17(16)23-4-2)10-11-20-18(19)21-12-6-5-7-13-21;/h8-9,14H,3-7,10-13H2,1-2H3,(H2,19,20);1H
InChIKeyYAIQJWUTUGMFNA-UHFFFAOYSA-N
XLogP3.45
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111026080
2-[2-(3,4-diethoxyphenyl)ethyl]-1-propan-2-ylguanidine
CID 111026044
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111096768
2-[2-(3,4-diethoxyphenyl)ethyl]-1-ethylguanidine
CID 111026082
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111076048
N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
CID 75513059
N'-[(3-chloro-4-ethoxyphenyl)methyl]azetidine-1-carboximidamide
CID 122096001
4-acetyl-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963202
N'-[3-(3-ethoxy-4-methoxyphenyl)propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111826088
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111026079) is N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide is CCOc1ccc(CC/N=C(\N)N2CCCCC2)cc1OCC.I.
What is the InChIKey of N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is YAIQJWUTUGMFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.HI/c1-3-22-16-9-8-15(14-17(16)23-4-2)10-11-20-18(19)21-12-6-5-7-13-21;/h8-9,14H,3-7,10-13H2,1-2H3,(H2,19,20);1H.
What are the key properties of N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 447.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111026079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).