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

C21H37IN4O — CID 111959764

IUPACN'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(Cc1ccccc1)N(C)C)N1CCC(OCC)CC1.I
InChIInChI=1S/C21H36N4O.HI/c1-5-22-21(25-14-12-20(13-15-25)26-6-2)23-17-19(24(3)4)16-18-10-8-7-9-11-18;/h7-11,19-20H,5-6,12-17H2,1-4H3,(H,22,23);1H
InChIKeyCLRXKHKDUNBHAZ-UHFFFAOYSA-N
MW488.46 g/mol
LogP3.24
Rot. Bonds8

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

N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111959764) has the molecular formula C21H37IN4O and a molecular weight of 488.46 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111959764
Molecular FormulaC21H37IN4O
Molecular Weight488.46 g/mol
Exact Mass488.20
IUPAC NameN'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(Cc1ccccc1)N(C)C)N1CCC(OCC)CC1.I
InChIInChI=1S/C21H36N4O.HI/c1-5-22-21(25-14-12-20(13-15-25)26-6-2)23-17-19(24(3)4)16-18-10-8-7-9-11-18;/h7-11,19-20H,5-6,12-17H2,1-4H3,(H,22,23);1H
InChIKeyCLRXKHKDUNBHAZ-UHFFFAOYSA-N
XLogP3.24
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 53.24
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-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959752
N'-[2-(dimethylamino)-3-phenylpropyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205186
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959786
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
N'-[2-[cyclopropyl(methyl)amino]propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958906
4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958732
N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959364
4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959018
N'-[(3-bromophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959518
2-[2-(dimethylamino)-3-phenylpropyl]-1,3-diethylguanidine
CID 110924766
methyl 1-[N-ethyl-N'-(2-hydroxy-3-phenylpropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253688
4-ethoxy-N'-[(3-ethoxyphenyl)methyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958734

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (CID 111959764) is N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(Cc1ccccc1)N(C)C)N1CCC(OCC)CC1.I.
What is the InChIKey of N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is CLRXKHKDUNBHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O.HI/c1-5-22-21(25-14-12-20(13-15-25)26-6-2)23-17-19(24(3)4)16-18-10-8-7-9-11-18;/h7-11,19-20H,5-6,12-17H2,1-4H3,(H,22,23);1H.
What are the key properties of N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 488.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).