1,2-dibenzyl-5-propan-2-ylpiperazine

C21H28N2 — CID 64838668

IUPAC1,2-dibenzyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccccc2)C(Cc2ccccc2)CN1
InChIInChI=1S/C21H28N2/c1-17(2)21-16-23(15-19-11-7-4-8-12-19)20(14-22-21)13-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16H2,1-2H3
InChIKeyCRVGFGOLPDXVEB-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.73
Rot. Bonds5

About 1,2-dibenzyl-5-propan-2-ylpiperazine

1,2-dibenzyl-5-propan-2-ylpiperazine (PubChem CID 64838668) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1,2-dibenzyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1,2-dibenzyl-5-propan-2-ylpiperazine
PubChem CID64838668
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1,2-dibenzyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccccc2)C(Cc2ccccc2)CN1
InChIInChI=1S/C21H28N2/c1-17(2)21-16-23(15-19-11-7-4-8-12-19)20(14-22-21)13-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16H2,1-2H3
InChIKeyCRVGFGOLPDXVEB-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
1,2,5-tribenzylpiperazine
CID 64850137
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64831754
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64837878
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533
[1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazin-2-yl]methanol
CID 82246452
2-ethyl-1-(1-phenylpropan-2-yl)-5-propan-2-ylpiperazine
CID 64937812
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-5-propan-2-ylpiperazine?
The IUPAC name of 1,2-dibenzyl-5-propan-2-ylpiperazine (CID 64838668) is 1,2-dibenzyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1,2-dibenzyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1,2-dibenzyl-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccccc2)C(Cc2ccccc2)CN1.
What is the InChIKey of 1,2-dibenzyl-5-propan-2-ylpiperazine?
The InChIKey is CRVGFGOLPDXVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-17(2)21-16-23(15-19-11-7-4-8-12-19)20(14-22-21)13-18-9-5-3-6-10-18/h3-12,17,20-22H,13-16H2,1-2H3.
What are the key properties of 1,2-dibenzyl-5-propan-2-ylpiperazine?
1,2-dibenzyl-5-propan-2-ylpiperazine has a molecular weight of 308.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64838668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).