N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide

C19H38N4O — CID 109490860

IUPACN-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CCCN2CCOCC2)NCC)C1
InChIInChI=1S/C19H38N4O/c1-4-8-19(3)9-6-12-23(17-19)18(20-5-2)21-10-7-11-22-13-15-24-16-14-22/h4-17H2,1-3H3,(H,20,21)
InChIKeyDHXJRLZVHVJPIR-UHFFFAOYSA-N
MW338.54 g/mol
LogP2.58
Rot. Bonds7

About N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide

N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide (PubChem CID 109490860) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
PubChem CID109490860
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC NameN-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CCCN2CCOCC2)NCC)C1
InChIInChI=1S/C19H38N4O/c1-4-8-19(3)9-6-12-23(17-19)18(20-5-2)21-10-7-11-22-13-15-24-16-14-22/h4-17H2,1-3H3,(H,20,21)
InChIKeyDHXJRLZVHVJPIR-UHFFFAOYSA-N
XLogP2.58
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-methyl-N'-[3-(oxan-4-yloxy)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490911
N-ethyl-3-methyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490099
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490904
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide
CID 109490790
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 109490789
N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490325
N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490338
N-ethyl-3-methyl-N'-[2-(4-nitropyrazol-1-yl)ethyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide (CID 109490860) is N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/CCCN2CCOCC2)NCC)C1.
What is the InChIKey of N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide?
The InChIKey is DHXJRLZVHVJPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-4-8-19(3)9-6-12-23(17-19)18(20-5-2)21-10-7-11-22-13-15-24-16-14-22/h4-17H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide?
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide has a molecular weight of 338.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).