1-benzyl-2-butan-2-yl-5-phenylpiperazine

C21H28N2 — CID 64877463

IUPAC1-benzyl-2-butan-2-yl-5-phenylpiperazine
SMILESCCC(C)C1CNC(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C21H28N2/c1-3-17(2)21-14-22-20(19-12-8-5-9-13-19)16-23(21)15-18-10-6-4-7-11-18/h4-13,17,20-22H,3,14-16H2,1-2H3
InChIKeyIVUOGVYAMUSBOY-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.25
Rot. Bonds5

About 1-benzyl-2-butan-2-yl-5-phenylpiperazine

1-benzyl-2-butan-2-yl-5-phenylpiperazine (PubChem CID 64877463) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-benzyl-2-butan-2-yl-5-phenylpiperazine.

Molecular Properties

Compound Name1-benzyl-2-butan-2-yl-5-phenylpiperazine
PubChem CID64877463
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-benzyl-2-butan-2-yl-5-phenylpiperazine
SMILESCCC(C)C1CNC(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C21H28N2/c1-3-17(2)21-14-22-20(19-12-8-5-9-13-19)16-23(21)15-18-10-6-4-7-11-18/h4-13,17,20-22H,3,14-16H2,1-2H3
InChIKeyIVUOGVYAMUSBOY-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine
CID 64876502
1-(2-methylpentyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64878230
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
5-phenyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64876116
1-(furan-2-ylmethyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64930221
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
CID 64877650
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81178594
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-butan-2-yl-5-phenylpiperazine?
The IUPAC name of 1-benzyl-2-butan-2-yl-5-phenylpiperazine (CID 64877463) is 1-benzyl-2-butan-2-yl-5-phenylpiperazine.
What is the SMILES notation for 1-benzyl-2-butan-2-yl-5-phenylpiperazine?
The canonical SMILES for 1-benzyl-2-butan-2-yl-5-phenylpiperazine is CCC(C)C1CNC(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-butan-2-yl-5-phenylpiperazine?
The InChIKey is IVUOGVYAMUSBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-3-17(2)21-14-22-20(19-12-8-5-9-13-19)16-23(21)15-18-10-6-4-7-11-18/h4-13,17,20-22H,3,14-16H2,1-2H3.
What are the key properties of 1-benzyl-2-butan-2-yl-5-phenylpiperazine?
1-benzyl-2-butan-2-yl-5-phenylpiperazine has a molecular weight of 308.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-butan-2-yl-5-phenylpiperazine is sourced from PubChem (CID 64877463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).