N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide

C20H26IN3 — CID 111031155

IUPACN'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H25N3.HI/c21-20(23-14-8-3-9-15-23)22-16-19(17-10-4-1-5-11-17)18-12-6-2-7-13-18;/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,21,22);1H
InChIKeyAZGZWRPQHZKEKL-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.24
Rot. Bonds4

About N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide

N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111031155) has the molecular formula C20H26IN3 and a molecular weight of 435.35 g/mol. Its IUPAC name is N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111031155
Molecular FormulaC20H26IN3
Molecular Weight435.35 g/mol
Exact Mass435.12
IUPAC NameN'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H25N3.HI/c21-20(23-14-8-3-9-15-23)22-16-19(17-10-4-1-5-11-17)18-12-6-2-7-13-18;/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,21,22);1H
InChIKeyAZGZWRPQHZKEKL-UHFFFAOYSA-N
XLogP4.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide
CID 90949805
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111058029
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 111058030
N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111027125
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111029389
N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111758200
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111799879
N'-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111098692

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide (CID 111031155) is N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CC(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is AZGZWRPQHZKEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.HI/c21-20(23-14-8-3-9-15-23)22-16-19(17-10-4-1-5-11-17)18-12-6-2-7-13-18;/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,21,22);1H.
What are the key properties of N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide?
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111031155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).