1,5-dibenzyl-2-butan-2-ylpiperazine

C22H30N2 — CID 64850133

IUPAC1,5-dibenzyl-2-butan-2-ylpiperazine
SMILESCCC(C)C1CNC(Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C22H30N2/c1-3-18(2)22-15-23-21(14-19-10-6-4-7-11-19)17-24(22)16-20-12-8-5-9-13-20/h4-13,18,21-23H,3,14-17H2,1-2H3
InChIKeyHALFBVMCRFXOMF-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.12
Rot. Bonds6

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

1,5-dibenzyl-2-butan-2-ylpiperazine (PubChem CID 64850133) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1,5-dibenzyl-2-butan-2-ylpiperazine.

Molecular Properties

Compound Name1,5-dibenzyl-2-butan-2-ylpiperazine
PubChem CID64850133
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1,5-dibenzyl-2-butan-2-ylpiperazine
SMILESCCC(C)C1CNC(Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C22H30N2/c1-3-18(2)22-15-23-21(14-19-10-6-4-7-11-19)17-24(22)16-20-12-8-5-9-13-20/h4-13,18,21-23H,3,14-17H2,1-2H3
InChIKeyHALFBVMCRFXOMF-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906
1,2,5-tribenzylpiperazine
CID 64850137
5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine
CID 64939061
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
CID 64841935
2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
CID 64841549
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
5-benzyl-2-methyl-1-pentan-3-ylpiperazine
CID 64954473
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-2-butan-2-ylpiperazine?
The IUPAC name of 1,5-dibenzyl-2-butan-2-ylpiperazine (CID 64850133) is 1,5-dibenzyl-2-butan-2-ylpiperazine.
What is the SMILES notation for 1,5-dibenzyl-2-butan-2-ylpiperazine?
The canonical SMILES for 1,5-dibenzyl-2-butan-2-ylpiperazine is CCC(C)C1CNC(Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1,5-dibenzyl-2-butan-2-ylpiperazine?
The InChIKey is HALFBVMCRFXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-3-18(2)22-15-23-21(14-19-10-6-4-7-11-19)17-24(22)16-20-12-8-5-9-13-20/h4-13,18,21-23H,3,14-17H2,1-2H3.
What are the key properties of 1,5-dibenzyl-2-butan-2-ylpiperazine?
1,5-dibenzyl-2-butan-2-ylpiperazine has a molecular weight of 322.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-2-butan-2-ylpiperazine is sourced from PubChem (CID 64850133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).