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

C24H25N3O2 — CID 2845900

IUPAC1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O2/c28-27(29)23-13-11-22(12-14-23)26-17-15-25(16-18-26)19-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-19H2
InChIKeyBUWYCNKFVRERHI-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.55
Rot. Bonds6

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

1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine (PubChem CID 2845900) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine
PubChem CID2845900
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O2/c28-27(29)23-13-11-22(12-14-23)26-17-15-25(16-18-26)19-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-19H2
InChIKeyBUWYCNKFVRERHI-UHFFFAOYSA-N
XLogP4.55
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 3466603
(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 66710890
1-(2,2-diphenylethyl)-4-(4-methylphenyl)piperazine
CID 90145475
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9347535
2-[4-(4-nitrophenyl)piperazin-1-yl]acetic acid
CID 43397285
2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 28913887
2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198584
2-(4-benzhydrylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 10319822
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 21228537
1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 2846057

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine?
The IUPAC name of 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine (CID 2845900) is 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine.
What is the SMILES notation for 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine?
The canonical SMILES for 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine is O=[N+]([O-])c1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine?
The InChIKey is BUWYCNKFVRERHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-27(29)23-13-11-22(12-14-23)26-17-15-25(16-18-26)19-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-19H2.
What are the key properties of 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine?
1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine has a molecular weight of 387.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-4-(4-nitrophenyl)piperazine is sourced from PubChem (CID 2845900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).