1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine

C24H25N3O3 — CID 2846057

IUPAC1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H25N3O3/c28-27(29)23-10-8-22(9-11-23)26-16-14-25(15-17-26)18-20-6-12-24(13-7-20)30-19-21-4-2-1-3-5-21/h1-13H,14-19H2
InChIKeyINGDLTQFIFHEOG-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.50
Rot. Bonds7

About 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine

1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 2846057) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID2846057
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H25N3O3/c28-27(29)23-10-8-22(9-11-23)26-16-14-25(15-17-26)18-20-6-12-24(13-7-20)30-19-21-4-2-1-3-5-21/h1-13H,14-19H2
InChIKeyINGDLTQFIFHEOG-UHFFFAOYSA-N
XLogP4.50
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2837933
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 59047037
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
(2-chloro-4-nitrophenyl)-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]methanone
CID 17368945
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
(4-benzylpiperazin-1-yl)-[4-[(4-nitrophenoxy)methyl]thiophen-2-yl]methanone
CID 19497037
1-[(3-nitrophenyl)methyl]-4-phenylpiperazine
CID 765516
methyl 1-[3-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenoxy]propyl]piperidine-4-carboxylate
CID 2766354
1-[(2,6-dichloro-4-pyridinyl)methyl]-4-(4-nitrophenyl)piperazine
CID 55987768
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine (CID 2846057) is 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine is O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is INGDLTQFIFHEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-27(29)23-10-8-22(9-11-23)26-16-14-25(15-17-26)18-20-6-12-24(13-7-20)30-19-21-4-2-1-3-5-21/h1-13H,14-19H2.
What are the key properties of 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 403.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2846057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).