1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine

C25H28N2 — CID 90145475

IUPAC1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2/c1-21-12-14-24(15-13-21)27-18-16-26(17-19-27)20-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3
InChIKeyILPFQBDKKULUTQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.95
Rot. Bonds5

About 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine

1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine (PubChem CID 90145475) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine
PubChem CID90145475
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2/c1-21-12-14-24(15-13-21)27-18-16-26(17-19-27)20-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3
InChIKeyILPFQBDKKULUTQ-UHFFFAOYSA-N
XLogP4.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine
CID 2845900
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
1-(4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 1375687
1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 16798753
1-[4-(4-methylphenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 44785164
2-[4-(4-methylphenyl)piperazin-1-yl]acetonitrile
CID 82113708
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 71344000

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine (CID 90145475) is 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine?
The InChIKey is ILPFQBDKKULUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-21-12-14-24(15-13-21)27-18-16-26(17-19-27)20-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3.
What are the key properties of 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine?
1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine has a molecular weight of 356.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 90145475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).