1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine

C16H18N4O2 — CID 133407191

IUPAC1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
SMILESCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H18N4O2/c1-18-9-11-19(12-10-18)15-8-7-14(20(21)22)16(17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyNCVPKCHUCGVYQC-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.41
Rot. Bonds3

About 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine

1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine (PubChem CID 133407191) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
PubChem CID133407191
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
SMILESCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H18N4O2/c1-18-9-11-19(12-10-18)15-8-7-14(20(21)22)16(17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
InChIKeyNCVPKCHUCGVYQC-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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'}

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Related Compounds

4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
N,N-dimethyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine-1-carboxamide
CID 133409262
1,3-dimethyl-5-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]pyrazol-4-amine
CID 133493134
4-(5-nitro-6-phenyl-2-pyridinyl)-1,4-thiazepane
CID 133409700
2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 133408202
6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitro-2-phenylpyridine
CID 133409043
(4-methoxyphenyl)-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]methanone
CID 133408833
1-methyl-4-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133408642
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
3-methyl-5-[[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133408182
[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 133409452
2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
CID 133408645

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine (CID 133407191) is 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine is CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine?
The InChIKey is NCVPKCHUCGVYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-18-9-11-19(12-10-18)15-8-7-14(20(21)22)16(17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3.
What are the key properties of 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine?
1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine has a molecular weight of 298.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine is sourced from PubChem (CID 133407191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).