N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

C18H29ClIN3O — CID 111959364

IUPACN'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccc(Cl)c1)N1CCC(OCC)CC1.I
InChIInChI=1S/C18H28ClN3O.HI/c1-3-20-18(22-12-9-17(10-13-22)23-4-2)21-11-8-15-6-5-7-16(19)14-15;/h5-7,14,17H,3-4,8-13H2,1-2H3,(H,20,21);1H
InChIKeyIQAPUEDVRYXNAY-UHFFFAOYSA-N
MW465.81 g/mol
LogP3.97
Rot. Bonds6

About N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111959364) has the molecular formula C18H29ClIN3O and a molecular weight of 465.81 g/mol. Its IUPAC name is N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111959364
Molecular FormulaC18H29ClIN3O
Molecular Weight465.81 g/mol
Exact Mass465.10
IUPAC NameN'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccc(Cl)c1)N1CCC(OCC)CC1.I
InChIInChI=1S/C18H28ClN3O.HI/c1-3-20-18(22-12-9-17(10-13-22)23-4-2)21-11-8-15-6-5-7-16(19)14-15;/h5-7,14,17H,3-4,8-13H2,1-2H3,(H,20,21);1H
InChIKeyIQAPUEDVRYXNAY-UHFFFAOYSA-N
XLogP3.97
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959018
N-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960053
N'-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960788
N'-[(3-bromophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959518
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111959163
4-ethoxy-N'-[(3-ethoxyphenyl)methyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958734
N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111748498
4-ethoxy-N-ethyl-N'-[2-(3-methoxyphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959158
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
N'-[2-(4-chlorophenyl)sulfanylethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111958721
N'-[(3-cyanophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959458

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (CID 111959364) is N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1cccc(Cl)c1)N1CCC(OCC)CC1.I.
What is the InChIKey of N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is IQAPUEDVRYXNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O.HI/c1-3-20-18(22-12-9-17(10-13-22)23-4-2)21-11-8-15-6-5-7-16(19)14-15;/h5-7,14,17H,3-4,8-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 465.81 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).