N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide

C20H30IN5O — CID 109426971

IUPACN-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCn1ccnc1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C20H29N5O.HI/c1-2-22-20(23-11-6-13-24-16-12-21-17-24)25-14-9-19(10-15-25)26-18-7-4-3-5-8-18;/h3-5,7-8,12,16-17,19H,2,6,9-11,13-15H2,1H3,(H,22,23);1H
InChIKeyWJFQEEURMLMXOS-UHFFFAOYSA-N
MW483.40 g/mol
LogP3.40
Rot. Bonds7

About N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 109426971) has the molecular formula C20H30IN5O and a molecular weight of 483.40 g/mol. Its IUPAC name is N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
PubChem CID109426971
Molecular FormulaC20H30IN5O
Molecular Weight483.40 g/mol
Exact Mass483.15
IUPAC NameN-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCn1ccnc1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C20H29N5O.HI/c1-2-22-20(23-11-6-13-24-16-12-21-17-24)25-14-9-19(10-15-25)26-18-7-4-3-5-8-18;/h3-5,7-8,12,16-17,19H,2,6,9-11,13-15H2,1H3,(H,22,23);1H
InChIKeyWJFQEEURMLMXOS-UHFFFAOYSA-N
XLogP3.40
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
4-benzyl-N-ethyl-N'-(2-imidazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111152407
N-ethyl-N'-[4-(4-methylpiperazin-1-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426614
N-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427272
N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425791
N-ethyl-N'-(4-morpholin-4-ylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426217
N-ethyl-N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426597
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
4-acetyl-N-ethyl-N'-(3-imidazol-1-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 110963148
N-ethyl-N'-[3-(methanesulfonamido)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428216
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide (CID 109426971) is N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCn1ccnc1)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WJFQEEURMLMXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.HI/c1-2-22-20(23-11-6-13-24-16-12-21-17-24)25-14-9-19(10-15-25)26-18-7-4-3-5-8-18;/h3-5,7-8,12,16-17,19H,2,6,9-11,13-15H2,1H3,(H,22,23);1H.
What are the key properties of N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 483.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109426971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).