1-Methyl-4-[3-(4-methyl-piperidin-1-yl)-4-nitro-phenyl]-piperazine

HCID 58638530

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1CCN(c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])CC1
InChIKey: QUAQQROJTKGRMI-UHFFFAOYSA-N
Molecular formula: C17H26N4O2
Average molar mass: 318.4 g/mol
Monoisotopic mass: 318.20557608

Names & identifiers

Preferred name: 1-Methyl-4-[3-(4-methyl-piperidin-1-yl)-4-nitro-phenyl]-piperazine
IUPAC: 1-methyl-4-[3-(4-methylpiperidin-1-yl)-4-nitrophenyl]piperazine

Names & synonyms

SCHEMBL3541105SCHEMBL31000430QUAQQROJTKGRMI-UHFFFAOYSA-N1-methyl-4-(3-(4-methylpiperidin-1-yl)-4-nitrophenyl)piperazine1-Methyl-4-[3-(4-methyl-piperidin-1-yl)-4-nitro-phenyl]-piperazine

Database identifiers

PubChem CID: 58638530

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 55.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 398

Related reactions

6 records

New reaction record

HRID 646858As productuspto-grants-2010_04

HRID 646859As reactantuspto-grants-2010_04

HRID 646916As reactantuspto-grants-2010_04

HRID 668745As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1151213As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1231069As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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