1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine

C25H28N2 — CID 71276997

IUPAC1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
SMILESc1ccc(C[C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2/c1-4-10-22(11-5-1)20-25(24-14-8-3-9-15-24)27-18-16-26(17-19-27)21-23-12-6-2-7-13-23/h1-15,25H,16-21H2/t25-/m1/s1
InChIKeyYUEIMYIILJBAOI-RUZDIDTESA-N
MW356.51 g/mol
LogP4.79
Rot. Bonds6

About 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine

1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine (PubChem CID 71276997) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
PubChem CID71276997
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
SMILESc1ccc(C[C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2/c1-4-10-22(11-5-1)20-25(24-14-8-3-9-15-24)27-18-16-26(17-19-27)21-23-12-6-2-7-13-23/h1-15,25H,16-21H2/t25-/m1/s1
InChIKeyYUEIMYIILJBAOI-RUZDIDTESA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol
CID 174310926
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
3-[1-(4-benzylpiperazin-1-yl)-3-methylbutyl]phenol
CID 10716545
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
CID 122219060
2-[4-(1,2-diphenylethyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 143935507
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
1-(1,2-diphenylethyl)-4-(4-fluorophenyl)piperazine;guanidine
CID 143935538

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine?
The IUPAC name of 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine (CID 71276997) is 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine is c1ccc(C[C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine?
The InChIKey is YUEIMYIILJBAOI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N2/c1-4-10-22(11-5-1)20-25(24-14-8-3-9-15-24)27-18-16-26(17-19-27)21-23-12-6-2-7-13-23/h1-15,25H,16-21H2/t25-/m1/s1.
What are the key properties of 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine?
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine has a molecular weight of 356.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine is sourced from PubChem (CID 71276997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).