N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide

C20H27N3OS — CID 109426946

IUPACN-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cccs1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H27N3OS/c1-2-21-20(22-13-10-19-9-6-16-25-19)23-14-11-18(12-15-23)24-17-7-4-3-5-8-17/h3-9,16,18H,2,10-15H2,1H3,(H,21,22)
InChIKeyZJYYRAGJGHYJIQ-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.80
Rot. Bonds6

About N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide

N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide (PubChem CID 109426946) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
PubChem CID109426946
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cccs1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H27N3OS/c1-2-21-20(22-13-10-19-9-6-16-25-19)23-14-11-18(12-15-23)24-17-7-4-3-5-8-17/h3-9,16,18H,2,10-15H2,1H3,(H,21,22)
InChIKeyZJYYRAGJGHYJIQ-UHFFFAOYSA-N
XLogP3.80
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.80
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'}

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Related Compounds

N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427919
N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723334
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
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427606
N-ethyl-N'-[4-(4-methylpiperazin-1-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426614
N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427277
N-ethyl-4-phenoxy-N'-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide
CID 109426886
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N-ethyl-N'-[2-(2-methylsulfonylethoxy)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426117

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide (CID 109426946) is N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide is CCN/C(=N\CCc1cccs1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
The InChIKey is ZJYYRAGJGHYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-2-21-20(22-13-10-19-9-6-16-25-19)23-14-11-18(12-15-23)24-17-7-4-3-5-8-17/h3-9,16,18H,2,10-15H2,1H3,(H,21,22).
What are the key properties of N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide?
N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide has a molecular weight of 357.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 109426946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).