N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide

C16H25I2N3O — CID 109454427

IUPACN,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\NCC)N1CCC(Oc2ccccc2I)CC1.I
InChIInChI=1S/C16H24IN3O.HI/c1-3-18-16(19-4-2)20-11-9-13(10-12-20)21-15-8-6-5-7-14(15)17;/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,19);1H
InChIKeyKHKHYDHZMDTVBQ-UHFFFAOYSA-N
MW529.20 g/mol
LogP3.74
Rot. Bonds4

About N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide

N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109454427) has the molecular formula C16H25I2N3O and a molecular weight of 529.20 g/mol. Its IUPAC name is N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
PubChem CID109454427
Molecular FormulaC16H25I2N3O
Molecular Weight529.20 g/mol
Exact Mass529.01
IUPAC NameN,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(\NCC)N1CCC(Oc2ccccc2I)CC1.I
InChIInChI=1S/C16H24IN3O.HI/c1-3-18-16(19-4-2)20-11-9-13(10-12-20)21-15-8-6-5-7-14(15)17;/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,19);1H
InChIKeyKHKHYDHZMDTVBQ-UHFFFAOYSA-N
XLogP3.74
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.20
LogP ≤ 53.74
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

N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
CID 109454443
N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide
CID 109454398
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N'-[(2-cyclopentyloxyphenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960196
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425735
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561
N-ethyl-N'-(4-morpholin-4-ylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426217
N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426137
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427606

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide (CID 109454427) is N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide is CC/N=C(\NCC)N1CCC(Oc2ccccc2I)CC1.I.
What is the InChIKey of N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is KHKHYDHZMDTVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O.HI/c1-3-18-16(19-4-2)20-11-9-13(10-12-20)21-15-8-6-5-7-14(15)17;/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,19);1H.
What are the key properties of N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide?
N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 529.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109454427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).