1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine

C42H46N4 — CID 70673095

IUPAC1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine
SMILESCC(c1ccc(CCc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C42H46N4/c1-34(38-20-24-42(25-21-38)46-32-28-44(29-33-46)40-10-6-3-7-11-40)37-18-14-35(15-19-37)12-13-36-16-22-41(23-17-36)45-30-26-43(27-31-45)39-8-4-2-5-9-39/h2-11,14-25,34H,12-13,26-33H2,1H3
InChIKeyGZBWTIZEFVNIDI-UHFFFAOYSA-N
MW606.86 g/mol
LogP8.28
Rot. Bonds9

About 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine

1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine (PubChem CID 70673095) has the molecular formula C42H46N4 and a molecular weight of 606.86 g/mol. Its IUPAC name is 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine
PubChem CID70673095
Molecular FormulaC42H46N4
Molecular Weight606.86 g/mol
Exact Mass606.37
IUPAC Name1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine
SMILESCC(c1ccc(CCc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C42H46N4/c1-34(38-20-24-42(25-21-38)46-32-28-44(29-33-46)40-10-6-3-7-11-40)37-18-14-35(15-19-37)12-13-36-16-22-41(23-17-36)45-30-26-43(27-31-45)39-8-4-2-5-9-39/h2-11,14-25,34H,12-13,26-33H2,1H3
InChIKeyGZBWTIZEFVNIDI-UHFFFAOYSA-N
XLogP8.28
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.86
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
1-phenyl-4-[4-[2-[4-[1-[4-(4-phenylpiperazin-1-yl)phenyl]ethenyl]phenyl]ethyl]phenyl]piperazine
CID 59729859
2-methyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722137
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
2-[4-(4-phenylpiperazin-1-yl)phenyl]acetonitrile
CID 82537637
1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene
CID 173470355
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine?
The IUPAC name of 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine (CID 70673095) is 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine?
The canonical SMILES for 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine is CC(c1ccc(CCc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine?
The InChIKey is GZBWTIZEFVNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N4/c1-34(38-20-24-42(25-21-38)46-32-28-44(29-33-46)40-10-6-3-7-11-40)37-18-14-35(15-19-37)12-13-36-16-22-41(23-17-36)45-30-26-43(27-31-45)39-8-4-2-5-9-39/h2-11,14-25,34H,12-13,26-33H2,1H3.
What are the key properties of 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine?
1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine has a molecular weight of 606.86 g/mol, XLogP of 8.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine is sourced from PubChem (CID 70673095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).