1-benzyl-4-(4-phenylbutan-2-yl)piperazine

C21H28N2 — CID 2846431

IUPAC1-benzyl-4-(4-phenylbutan-2-yl)piperazine
SMILESCC(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-19(12-13-20-8-4-2-5-9-20)23-16-14-22(15-17-23)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3
InChIKeyIUZWDIZPXUMNAD-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.83
Rot. Bonds6

About 1-benzyl-4-(4-phenylbutan-2-yl)piperazine

1-benzyl-4-(4-phenylbutan-2-yl)piperazine (PubChem CID 2846431) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-benzyl-4-(4-phenylbutan-2-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-phenylbutan-2-yl)piperazine
PubChem CID2846431
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-benzyl-4-(4-phenylbutan-2-yl)piperazine
SMILESCC(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-19(12-13-20-8-4-2-5-9-20)23-16-14-22(15-17-23)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3
InChIKeyIUZWDIZPXUMNAD-UHFFFAOYSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-phenylbutan-2-yl)piperazine?
The IUPAC name of 1-benzyl-4-(4-phenylbutan-2-yl)piperazine (CID 2846431) is 1-benzyl-4-(4-phenylbutan-2-yl)piperazine.
What is the SMILES notation for 1-benzyl-4-(4-phenylbutan-2-yl)piperazine?
The canonical SMILES for 1-benzyl-4-(4-phenylbutan-2-yl)piperazine is CC(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-phenylbutan-2-yl)piperazine?
The InChIKey is IUZWDIZPXUMNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-19(12-13-20-8-4-2-5-9-20)23-16-14-22(15-17-23)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3.
What are the key properties of 1-benzyl-4-(4-phenylbutan-2-yl)piperazine?
1-benzyl-4-(4-phenylbutan-2-yl)piperazine has a molecular weight of 308.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-phenylbutan-2-yl)piperazine is sourced from PubChem (CID 2846431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).