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

C25H36N2O — CID 11303550

IUPAC1,4-dibenzyl-2-(hexoxymethyl)piperazine
SMILESCCCCCCOCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C25H36N2O/c1-2-3-4-11-18-28-22-25-21-26(19-23-12-7-5-8-13-23)16-17-27(25)20-24-14-9-6-10-15-24/h5-10,12-15,25H,2-4,11,16-22H2,1H3
InChIKeyMNBRLTKXOZBERL-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.97
Rot. Bonds11

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

1,4-dibenzyl-2-(hexoxymethyl)piperazine (PubChem CID 11303550) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 1,4-dibenzyl-2-(hexoxymethyl)piperazine.

Molecular Properties

Compound Name1,4-dibenzyl-2-(hexoxymethyl)piperazine
PubChem CID11303550
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name1,4-dibenzyl-2-(hexoxymethyl)piperazine
SMILESCCCCCCOCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C25H36N2O/c1-2-3-4-11-18-28-22-25-21-26(19-23-12-7-5-8-13-23)16-17-27(25)20-24-14-9-6-10-15-24/h5-10,12-15,25H,2-4,11,16-22H2,1H3
InChIKeyMNBRLTKXOZBERL-UHFFFAOYSA-N
XLogP4.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
CID 69186002
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
(3R,4R)-1-benzyl-3,4-dioctadecoxypyrrolidine
CID 86682221
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
CID 10476627
(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
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
CID 69210439
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
1-benzyl-4-heptylpiperazine
CID 22088087

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-2-(hexoxymethyl)piperazine?
The IUPAC name of 1,4-dibenzyl-2-(hexoxymethyl)piperazine (CID 11303550) is 1,4-dibenzyl-2-(hexoxymethyl)piperazine.
What is the SMILES notation for 1,4-dibenzyl-2-(hexoxymethyl)piperazine?
The canonical SMILES for 1,4-dibenzyl-2-(hexoxymethyl)piperazine is CCCCCCOCC1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzyl-2-(hexoxymethyl)piperazine?
The InChIKey is MNBRLTKXOZBERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-2-3-4-11-18-28-22-25-21-26(19-23-12-7-5-8-13-23)16-17-27(25)20-24-14-9-6-10-15-24/h5-10,12-15,25H,2-4,11,16-22H2,1H3.
What are the key properties of 1,4-dibenzyl-2-(hexoxymethyl)piperazine?
1,4-dibenzyl-2-(hexoxymethyl)piperazine has a molecular weight of 380.58 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-2-(hexoxymethyl)piperazine is sourced from PubChem (CID 11303550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).