1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine

C25H28N4O3 — CID 169386634

IUPAC1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccccc1C1CCN(c2ccc(CNNc3ccccc3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C25H28N4O3/c1-32-25-10-6-5-9-22(25)20-13-15-28(16-14-20)23-12-11-19(17-24(23)29(30)31)18-26-27-21-7-3-2-4-8-21/h2-12,17,20,26-27H,13-16,18H2,1H3
InChIKeyCBUOQNUKYJWGCS-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.10
Rot. Bonds8

About 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine

1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine (PubChem CID 169386634) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine
PubChem CID169386634
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine
SMILESCOc1ccccc1C1CCN(c2ccc(CNNc3ccccc3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C25H28N4O3/c1-32-25-10-6-5-9-22(25)20-13-15-28(16-14-20)23-12-11-19(17-24(23)29(30)31)18-26-27-21-7-3-2-4-8-21/h2-12,17,20,26-27H,13-16,18H2,1H3
InChIKeyCBUOQNUKYJWGCS-UHFFFAOYSA-N
XLogP5.10
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]-N,N-dimethylpropan-1-amine
CID 170865873
3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine
CID 133340622
3-amino-3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]propan-1-ol
CID 170875036
[3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133437902
2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methylideneamino]guanidine
CID 168591757
2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]-1H-benzimidazole
CID 168555318
2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]-3H-quinazolin-4-one
CID 168552811
3-amino-3-[2-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitrophenyl]propanoic acid
CID 170872760
(E)-3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 6081278
5-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91535849
3-methyl-N-[[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methyl]aniline
CID 91674445
1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384360

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine (CID 169386634) is 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine is COc1ccccc1C1CCN(c2ccc(CNNc3ccccc3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine?
The InChIKey is CBUOQNUKYJWGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-32-25-10-6-5-9-22(25)20-13-15-28(16-14-20)23-12-11-19(17-24(23)29(30)31)18-26-27-21-7-3-2-4-8-21/h2-12,17,20,26-27H,13-16,18H2,1H3.
What are the key properties of 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine?
1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine has a molecular weight of 432.52 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).