N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide

C21H33FN4O — CID 111210947

IUPACN-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1cccc(F)c1)N1CCOCC1)N1CCC(C)CC1
InChIInChI=1S/C21H33FN4O/c1-3-23-21(26-9-7-17(2)8-10-26)24-16-20(25-11-13-27-14-12-25)18-5-4-6-19(22)15-18/h4-6,15,17,20H,3,7-14,16H2,1-2H3,(H,23,24)
InChIKeyJVHVPNXCCKHWOD-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.90
Rot. Bonds5

About N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide

N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 111210947) has the molecular formula C21H33FN4O and a molecular weight of 376.52 g/mol. Its IUPAC name is N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID111210947
Molecular FormulaC21H33FN4O
Molecular Weight376.52 g/mol
Exact Mass376.26
IUPAC NameN-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(c1cccc(F)c1)N1CCOCC1)N1CCC(C)CC1
InChIInChI=1S/C21H33FN4O/c1-3-23-21(26-9-7-17(2)8-10-26)24-16-20(25-11-13-27-14-12-25)18-5-4-6-19(22)15-18/h4-6,15,17,20H,3,7-14,16H2,1-2H3,(H,23,24)
InChIKeyJVHVPNXCCKHWOD-UHFFFAOYSA-N
XLogP2.90
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.90
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-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742107
1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110988194
N-ethyl-4-methyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210800
N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728707
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 111261663
3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383594
(3R)-N-ethyl-3-hydroxy-N'-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboximidamide
CID 111550656
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 111693226
1-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236076
N,N-diethyl-2-[[N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]carbamimidoyl]-methylamino]acetamide
CID 111009549
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111876724
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
CID 111085600

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide (CID 111210947) is N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide is CCN/C(=N\CC(c1cccc(F)c1)N1CCOCC1)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is JVHVPNXCCKHWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN4O/c1-3-23-21(26-9-7-17(2)8-10-26)24-16-20(25-11-13-27-14-12-25)18-5-4-6-19(22)15-18/h4-6,15,17,20H,3,7-14,16H2,1-2H3,(H,23,24).
What are the key properties of N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide?
N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 376.52 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111210947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).