1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine

C23H25N5O2 — CID 169386939

IUPAC1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c(CNNc2ccccc2)c1
InChIInChI=1S/C23H25N5O2/c29-28(30)22-11-12-23(19(17-22)18-24-25-20-7-3-1-4-8-20)27-15-13-26(14-16-27)21-9-5-2-6-10-21/h1-12,17,24-25H,13-16,18H2
InChIKeyLBAHNQCDBJWXLW-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.04
Rot. Bonds7

About 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine

1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine (PubChem CID 169386939) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine
PubChem CID169386939
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c(CNNc2ccccc2)c1
InChIInChI=1S/C23H25N5O2/c29-28(30)22-11-12-23(19(17-22)18-24-25-20-7-3-1-4-8-20)27-15-13-26(14-16-27)21-9-5-2-6-10-21/h1-12,17,24-25H,13-16,18H2
InChIKeyLBAHNQCDBJWXLW-UHFFFAOYSA-N
XLogP4.04
TPSA73.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

ethyl 1-[4-nitro-2-[(2-phenylhydrazinyl)methyl]phenyl]piperidine-4-carboxylate
CID 169385484
1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine
CID 169385478
2-(5-nitro-2-pyrrolidin-1-ylphenyl)acetic acid
CID 70552620
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
1-[(3-nitrophenyl)methyl]-4-phenylpiperazine
CID 765516
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
methylidene-(4-nitrophenyl)-oxo-(4-phenylpiperazin-1-yl)-λ6-sulfane
CID 159485251
2,4-dinitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]aniline
CID 38794679
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
carboxy-[(5-nitro-2-pyrrolidin-1-ylphenyl)methyl]carbamic acid
CID 18622020
methyl 2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetate
CID 170335545
1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine
CID 3124723

Frequently Asked Questions

What is the IUPAC name of 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine (CID 169386939) is 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine is O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c(CNNc2ccccc2)c1.
What is the InChIKey of 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine?
The InChIKey is LBAHNQCDBJWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-28(30)22-11-12-23(19(17-22)18-24-25-20-7-3-1-4-8-20)27-15-13-26(14-16-27)21-9-5-2-6-10-21/h1-12,17,24-25H,13-16,18H2.
What are the key properties of 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine?
1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine has a molecular weight of 403.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).