1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine

C17H28N2O6 — CID 174956236

IUPAC1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine
SMILESCOC1CN(Cc2ccccc2)C(OC)(OC)C(OC)(OC)N1OC
InChIInChI=1S/C17H28N2O6/c1-20-15-13-18(12-14-10-8-7-9-11-14)16(21-2,22-3)17(23-4,24-5)19(15)25-6/h7-11,15H,12-13H2,1-6H3
InChIKeyGZEKWTGKLGOQHP-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.23
Rot. Bonds8

About 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine

1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine (PubChem CID 174956236) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine.

Molecular Properties

Compound Name1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine
PubChem CID174956236
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine
SMILESCOC1CN(Cc2ccccc2)C(OC)(OC)C(OC)(OC)N1OC
InChIInChI=1S/C17H28N2O6/c1-20-15-13-18(12-14-10-8-7-9-11-14)16(21-2,22-3)17(23-4,24-5)19(15)25-6/h7-11,15H,12-13H2,1-6H3
InChIKeyGZEKWTGKLGOQHP-UHFFFAOYSA-N
XLogP1.23
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine?
The IUPAC name of 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine (CID 174956236) is 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine.
What is the SMILES notation for 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine?
The canonical SMILES for 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine is COC1CN(Cc2ccccc2)C(OC)(OC)C(OC)(OC)N1OC.
What is the InChIKey of 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine?
The InChIKey is GZEKWTGKLGOQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-20-15-13-18(12-14-10-8-7-9-11-14)16(21-2,22-3)17(23-4,24-5)19(15)25-6/h7-11,15H,12-13H2,1-6H3.
What are the key properties of 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine?
1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine has a molecular weight of 356.42 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2,3,3,4,5-hexamethoxypiperazine is sourced from PubChem (CID 174956236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).