4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide

C21H35N5O — CID 110959577

IUPAC4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCOCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H35N5O/c1-3-22-21(23-17-19(2)25-13-15-27-16-14-25)26-11-9-24(10-12-26)18-20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3,(H,22,23)
InChIKeyAHSTXEGSNDNGGD-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.49
Rot. Bonds6

About 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide

4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide (PubChem CID 110959577) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide
PubChem CID110959577
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCOCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H35N5O/c1-3-22-21(23-17-19(2)25-13-15-27-16-14-25)26-11-9-24(10-12-26)18-20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3,(H,22,23)
InChIKeyAHSTXEGSNDNGGD-UHFFFAOYSA-N
XLogP1.49
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021679
4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 110959850
4-benzylidene-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 109414390
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960866
4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111152764
4-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111188849
methyl 1-[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111254653
4-benzyl-N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]piperazine-1-carboximidamide
CID 110959517
4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide
CID 110960237
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956186
N-ethyl-3-morpholin-4-yl-N'-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111726513
N-amino-4-benzyl-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 116512908

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide (CID 110959577) is 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide is CCN/C(=N\CC(C)N1CCOCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide?
The InChIKey is AHSTXEGSNDNGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-3-22-21(23-17-19(2)25-13-15-27-16-14-25)26-11-9-24(10-12-26)18-20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3,(H,22,23).
What are the key properties of 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide?
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide has a molecular weight of 373.55 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 110959577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).