N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide

C16H33IN4O — CID 111145731

IUPACN-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)N1CCCC(C)C1.I
InChIInChI=1S/C16H32N4O.HI/c1-4-17-16(20-7-5-6-14(2)13-20)18-12-15(3)19-8-10-21-11-9-19;/h14-15H,4-13H2,1-3H3,(H,17,18);1H
InChIKeyNOWFKMXLUAGHHR-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.02
Rot. Bonds4

About N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide

N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111145731) has the molecular formula C16H33IN4O and a molecular weight of 424.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111145731
Molecular FormulaC16H33IN4O
Molecular Weight424.37 g/mol
Exact Mass424.17
IUPAC NameN-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)N1CCCC(C)C1.I
InChIInChI=1S/C16H32N4O.HI/c1-4-17-16(20-7-5-6-14(2)13-20)18-12-15(3)19-8-10-21-11-9-19;/h14-15H,4-13H2,1-3H3,(H,17,18);1H
InChIKeyNOWFKMXLUAGHHR-UHFFFAOYSA-N
XLogP2.02
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.02
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-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145103
N-ethyl-N'-(2-morpholin-4-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144365
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728062
N-ethyl-N'-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119999858
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728063
methyl 1-[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111254653
N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 111739906
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
4-acetyl-N-ethyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110962738
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111145731) is N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)N1CCOCC1)N1CCCC(C)C1.I.
What is the InChIKey of N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is NOWFKMXLUAGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.HI/c1-4-17-16(20-7-5-6-14(2)13-20)18-12-15(3)19-8-10-21-11-9-19;/h14-15H,4-13H2,1-3H3,(H,17,18);1H.
What are the key properties of N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 424.37 g/mol, XLogP of 2.02, 4 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'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111145731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).