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

C21H28N2 — CID 64849792

IUPAC1-benzyl-5-butan-2-yl-2-phenylpiperazine
SMILESCCC(C)C1CN(Cc2ccccc2)C(c2ccccc2)CN1
InChIInChI=1S/C21H28N2/c1-3-17(2)20-16-23(15-18-10-6-4-7-11-18)21(14-22-20)19-12-8-5-9-13-19/h4-13,17,20-22H,3,14-16H2,1-2H3
InChIKeyJPPFDOOIKHUCHJ-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.25
Rot. Bonds5

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

1-benzyl-5-butan-2-yl-2-phenylpiperazine (PubChem CID 64849792) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-benzyl-5-butan-2-yl-2-phenylpiperazine.

Molecular Properties

Compound Name1-benzyl-5-butan-2-yl-2-phenylpiperazine
PubChem CID64849792
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-benzyl-5-butan-2-yl-2-phenylpiperazine
SMILESCCC(C)C1CN(Cc2ccccc2)C(c2ccccc2)CN1
InChIInChI=1S/C21H28N2/c1-3-17(2)20-16-23(15-18-10-6-4-7-11-18)21(14-22-20)19-12-8-5-9-13-19/h4-13,17,20-22H,3,14-16H2,1-2H3
InChIKeyJPPFDOOIKHUCHJ-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

Analyze 1-benzyl-5-butan-2-yl-2-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine
CID 64849021
5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine
CID 64939151
5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936913
1-benzyl-5-ethyl-2-phenylpiperazine
CID 64841572
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
CID 64839049
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64840410
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-butan-2-yl-2-phenylpiperazine?
The IUPAC name of 1-benzyl-5-butan-2-yl-2-phenylpiperazine (CID 64849792) is 1-benzyl-5-butan-2-yl-2-phenylpiperazine.
What is the SMILES notation for 1-benzyl-5-butan-2-yl-2-phenylpiperazine?
The canonical SMILES for 1-benzyl-5-butan-2-yl-2-phenylpiperazine is CCC(C)C1CN(Cc2ccccc2)C(c2ccccc2)CN1.
What is the InChIKey of 1-benzyl-5-butan-2-yl-2-phenylpiperazine?
The InChIKey is JPPFDOOIKHUCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-3-17(2)20-16-23(15-18-10-6-4-7-11-18)21(14-22-20)19-12-8-5-9-13-19/h4-13,17,20-22H,3,14-16H2,1-2H3.
What are the key properties of 1-benzyl-5-butan-2-yl-2-phenylpiperazine?
1-benzyl-5-butan-2-yl-2-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-5-butan-2-yl-2-phenylpiperazine is sourced from PubChem (CID 64849792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).