4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide

C20H32N4O — CID 110960237

IUPAC4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCC1CCCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H32N4O/c1-2-21-20(22-11-10-19-9-6-16-25-19)24-14-12-23(13-15-24)17-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,21,22)
InChIKeyJENXDAUGDCQQKF-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.34
Rot. Bonds6

About 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide

4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide (PubChem CID 110960237) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide
PubChem CID110960237
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCC1CCCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H32N4O/c1-2-21-20(22-11-10-19-9-6-16-25-19)24-14-12-23(13-15-24)17-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,21,22)
InChIKeyJENXDAUGDCQQKF-UHFFFAOYSA-N
XLogP2.34
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.34
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'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956186
N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111211047
N-ethyl-4-(2-methoxyphenyl)-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111132732
4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 110959850
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 111137437
4-benzyl-N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]piperazine-1-carboximidamide
CID 110959693
4-benzyl-N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboximidamide
CID 111493314
methyl 1-[N-ethyl-N'-[2-(oxolan-2-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253652
4-benzyl-N-ethyl-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110960578
N-[2-[[(4-benzylpiperazin-1-yl)-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110960051
methyl 1-[N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111254809
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111548891

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide (CID 110960237) is 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide is CCN/C(=N\CCC1CCCO1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide?
The InChIKey is JENXDAUGDCQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-21-20(22-11-10-19-9-6-16-25-19)24-14-12-23(13-15-24)17-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,21,22).
What are the key properties of 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide?
4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide has a molecular weight of 344.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethyl-N'-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110960237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).