N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide

C22H43N3O2 — CID 109449403

IUPACN-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)CC(C)C)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C22H43N3O2/c1-6-23-21(24-17-22(4,5)15-18(2)3)25-12-10-19(11-13-25)27-16-20-9-7-8-14-26-20/h18-20H,6-17H2,1-5H3,(H,23,24)
InChIKeyPIZAZXSSQLAMLH-UHFFFAOYSA-N
MW381.61 g/mol
LogP4.07
Rot. Bonds8

About N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide

N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide (PubChem CID 109449403) has the molecular formula C22H43N3O2 and a molecular weight of 381.61 g/mol. Its IUPAC name is N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide
PubChem CID109449403
Molecular FormulaC22H43N3O2
Molecular Weight381.61 g/mol
Exact Mass381.34
IUPAC NameN-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)CC(C)C)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C22H43N3O2/c1-6-23-21(24-17-22(4,5)15-18(2)3)25-12-10-19(11-13-25)27-16-20-9-7-8-14-26-20/h18-20H,6-17H2,1-5H3,(H,23,24)
InChIKeyPIZAZXSSQLAMLH-UHFFFAOYSA-N
XLogP4.07
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 54.07
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-ethyl-N'-(2-ethyl-2-hydroxybutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447112
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
N-ethyl-N'-(2-methyl-3-piperidin-1-ylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448545
N'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
N-ethyl-N'-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448948
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448546
N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447015
N-ethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449830
N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448635
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450349
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide
CID 109447481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide (CID 109449403) is N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide is CCN/C(=N\CC(C)(C)CC(C)C)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide?
The InChIKey is PIZAZXSSQLAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O2/c1-6-23-21(24-17-22(4,5)15-18(2)3)25-12-10-19(11-13-25)27-16-20-9-7-8-14-26-20/h18-20H,6-17H2,1-5H3,(H,23,24).
What are the key properties of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide?
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide has a molecular weight of 381.61 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(2,2,4-trimethylpentyl)piperidine-1-carboximidamide is sourced from PubChem (CID 109449403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).