4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine

C16H18N4O2 — CID 16796445

IUPAC4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
SMILESCN1CCN(c2ccc([N+](=O)[O-])cn2)C(c2ccccc2)C1
InChIInChI=1S/C16H18N4O2/c1-18-9-10-19(15(12-18)13-5-3-2-4-6-13)16-8-7-14(11-17-16)20(21)22/h2-8,11,15H,9-10,12H2,1H3
InChIKeyADNDXXPCPCNSIC-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.48
Rot. Bonds3

About 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine

4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine (PubChem CID 16796445) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine.

Molecular Properties

Compound Name4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
PubChem CID16796445
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
SMILESCN1CCN(c2ccc([N+](=O)[O-])cn2)C(c2ccccc2)C1
InChIInChI=1S/C16H18N4O2/c1-18-9-10-19(15(12-18)13-5-3-2-4-6-13)16-8-7-14(11-17-16)20(21)22/h2-8,11,15H,9-10,12H2,1H3
InChIKeyADNDXXPCPCNSIC-UHFFFAOYSA-N
XLogP2.48
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine 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

(2R)-4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 95312194
(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine
CID 95973208
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64589848
2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine
CID 153404148
6-(4-methyl-2-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 17449591
(2R,5R)-2,5-dimethyl-4-(5-nitro-2-pyridinyl)piperazine-1-carboxylic acid
CID 170155915
2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine
CID 66466632
2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine
CID 133334695
4-methyl-1-(2-methyl-5-nitrophenyl)sulfonyl-2-phenylpiperazine;hydrochloride
CID 46820921
(1S)-2-[(2R)-1-(5-nitro-2-pyridinyl)azepan-2-yl]-1-phenylethanol
CID 99775600
4-ethyl-1-(5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114427543

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine?
The IUPAC name of 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine (CID 16796445) is 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine.
What is the SMILES notation for 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine?
The canonical SMILES for 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine is CN1CCN(c2ccc([N+](=O)[O-])cn2)C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine?
The InChIKey is ADNDXXPCPCNSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-18-9-10-19(15(12-18)13-5-3-2-4-6-13)16-8-7-14(11-17-16)20(21)22/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine?
4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine has a molecular weight of 298.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine is sourced from PubChem (CID 16796445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).