1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine

C23H32N2O3 — CID 69186002

IUPAC1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
SMILESCOCCOCOCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C23H32N2O3/c1-26-14-15-27-20-28-19-23-18-24(16-21-8-4-2-5-9-21)12-13-25(23)17-22-10-6-3-7-11-22/h2-11,23H,12-20H2,1H3
InChIKeyLURTYISIDKNFBF-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.01
Rot. Bonds11

About 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine

1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine (PubChem CID 69186002) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine.

Molecular Properties

Compound Name1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
PubChem CID69186002
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
SMILESCOCCOCOCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C23H32N2O3/c1-26-14-15-27-20-28-19-23-18-24(16-21-8-4-2-5-9-21)12-13-25(23)17-22-10-6-3-7-11-22/h2-11,23H,12-20H2,1H3
InChIKeyLURTYISIDKNFBF-UHFFFAOYSA-N
XLogP3.01
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-dibenzyl-2-(hexoxymethyl)piperazine
CID 11303550
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
CID 69210439
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate
CID 58007099
(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
CID 10476627
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
(1,4-dibenzylpiperazin-2-yl)methyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 10255609
2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 126460832

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine?
The IUPAC name of 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine (CID 69186002) is 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine.
What is the SMILES notation for 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine?
The canonical SMILES for 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine is COCCOCOCC1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine?
The InChIKey is LURTYISIDKNFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-26-14-15-27-20-28-19-23-18-24(16-21-8-4-2-5-9-21)12-13-25(23)17-22-10-6-3-7-11-22/h2-11,23H,12-20H2,1H3.
What are the key properties of 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine?
1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine has a molecular weight of 384.52 g/mol, XLogP of 3.01, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine is sourced from PubChem (CID 69186002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).