N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C24H38IN3O2 — CID 109449846

IUPACN'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1c1ccccc1C)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C24H37N3O2.HI/c1-3-25-24(26-23-16-22(23)21-10-5-4-8-18(21)2)27-13-11-19(12-14-27)29-17-20-9-6-7-15-28-20;/h4-5,8,10,19-20,22-23H,3,6-7,9,11-17H2,1-2H3,(H,25,26);1H
InChIKeyQKNHSQXZWYLRHR-UHFFFAOYSA-N
MW527.49 g/mol
LogP4.48
Rot. Bonds6

About N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109449846) has the molecular formula C24H38IN3O2 and a molecular weight of 527.49 g/mol. Its IUPAC name is N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
PubChem CID109449846
Molecular FormulaC24H38IN3O2
Molecular Weight527.49 g/mol
Exact Mass527.20
IUPAC NameN'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1c1ccccc1C)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C24H37N3O2.HI/c1-3-25-24(26-23-16-22(23)21-10-5-4-8-18(21)2)27-13-11-19(12-14-27)29-17-20-9-6-7-15-28-20;/h4-5,8,10,19-20,22-23H,3,6-7,9,11-17H2,1-2H3,(H,25,26);1H
InChIKeyQKNHSQXZWYLRHR-UHFFFAOYSA-N
XLogP4.48
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.49
LogP ≤ 54.48
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'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770663
N-ethyl-N'-[(2-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449500
N'-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450222
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447822
N-ethyl-N'-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450326
N'-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447795
N-ethyl-N'-(furan-2-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449548
N-ethyl-N'-[2-(4-methylphenyl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449430
N'-(3-anilinopropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449568
N-[3-(2,6-dimethylphenoxy)propyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447451
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 109448637
N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]-4-(oxolan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 110057373

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109449846) is N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is CC/N=C(/NC1CC1c1ccccc1C)N1CCC(OCC2CCCCO2)CC1.I.
What is the InChIKey of N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is QKNHSQXZWYLRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2.HI/c1-3-25-24(26-23-16-22(23)21-10-5-4-8-18(21)2)27-13-11-19(12-14-27)29-17-20-9-6-7-15-28-20;/h4-5,8,10,19-20,22-23H,3,6-7,9,11-17H2,1-2H3,(H,25,26);1H.
What are the key properties of N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 527.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109449846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).