N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide

C25H41N3O3 — CID 109449485

IUPACN-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCOC(C)c1ccccc1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C25H41N3O3/c1-3-26-25(27-15-9-19-29-21(2)22-10-5-4-6-11-22)28-16-13-23(14-17-28)31-20-24-12-7-8-18-30-24/h4-6,10-11,21,23-24H,3,7-9,12-20H2,1-2H3,(H,26,27)
InChIKeyRGCZCPPUFTUQLQ-UHFFFAOYSA-N
MW431.62 g/mol
LogP4.17
Rot. Bonds10

About N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide

N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide (PubChem CID 109449485) has the molecular formula C25H41N3O3 and a molecular weight of 431.62 g/mol. Its IUPAC name is N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide
PubChem CID109449485
Molecular FormulaC25H41N3O3
Molecular Weight431.62 g/mol
Exact Mass431.31
IUPAC NameN-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCOC(C)c1ccccc1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C25H41N3O3/c1-3-26-25(27-15-9-19-29-21(2)22-10-5-4-6-11-22)28-16-13-23(14-17-28)31-20-24-12-7-8-18-30-24/h4-6,10-11,21,23-24H,3,7-9,12-20H2,1-2H3,(H,26,27)
InChIKeyRGCZCPPUFTUQLQ-UHFFFAOYSA-N
XLogP4.17
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 54.17
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'}

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Related Compounds

N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
CID 109449094
N'-(3-anilinopropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449568
N'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097
N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448693
N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448692
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448546
N-ethyl-N'-[2-(4-ethylphenyl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450239
N'-[4-(diethylamino)butyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449991
N'-[3-(dipropylamino)propyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449459
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
N-ethyl-N'-[2-(4-methylphenyl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449430
N-ethyl-N'-(3-methylsulfanylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide (CID 109449485) is N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide is CCN/C(=N\CCCOC(C)c1ccccc1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide?
The InChIKey is RGCZCPPUFTUQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O3/c1-3-26-25(27-15-9-19-29-21(2)22-10-5-4-6-11-22)28-16-13-23(14-17-28)31-20-24-12-7-8-18-30-24/h4-6,10-11,21,23-24H,3,7-9,12-20H2,1-2H3,(H,26,27).
What are the key properties of N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide?
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide has a molecular weight of 431.62 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxan-2-ylmethoxy)-N'-[3-(1-phenylethoxy)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109449485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).