Piperidine, 1-(4-nitrophenyl)-

HCID 81049CAS 6574-15-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(N2CCCCC2)cc1
InChIKey: SGPLAXFUDTWHRS-UHFFFAOYSA-N
Molecular formula: C11H14N2O2
Average molar mass: 206.24 g/mol
Monoisotopic mass: 206.10552769

Overview

1-(4-nitrophenyl)piperidine is a member of piperidines.

Names & identifiers

Preferred name: Piperidine, 1-(4-nitrophenyl)-
IUPAC: 1-(4-nitrophenyl)piperidine
English name: 1-(4-Nitrophenyl)piperidine
Molecular formula: C11H14N2O2
Molecular weight: 206.24

Names & synonyms

1-(4-Nitrophenyl)piperidine6574-15-8Piperidine, 1-(4-nitrophenyl)-1-(p-Nitrophenyl)piperidineN-(4-nitrophenyl)piperidineFRZ5EYH8V6N-(P-nitrophenyl)piperidineEINECS 229-492-7NSC-15441P-NITROPIPERIDINOBENZENEAI3-027484-PIPERIDINONITROBENZENE

Show more names

AURORA 2061BUTTPARK 96\57-874-CHLORO-2-AMINOPYRIMIDINE1-Piperidino-4-nitrobenzene6-amino-1,3-dimethyl-5-[2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]pyrimidine-2,4-dione

DTXSID70215942NSC 15441P-(1-PIPERIDINYL)NITROBENZENEPIPERIDINE, 1-(P-NITROPHENYL)-RefChem:863505DTXCID00138433229-492-7MFCD00023662

Database identifiers

CAS: 6574-15-8
PubChem CID: 81049
DTXSID: DTXSID70215942
ChEMBL: CHEMBL1370351
ChEBI: CHEBI:192636
UNII: FRZ5EYH8V6
EC Number: 229-492-7
Nikkaji: J225.193K

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 213

Experimental & physicochemical properties

LogP3.26

Solubility19.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 104 · 104-106°C
Boiling point: 363.5 · 363.5±25.0 °C(Predicted)
Density: 1.188 · 1.188±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 1.92 · 1.92±0.20(Predicted)
CAS DataBase Reference: 6574 · 6574-15-8(CAS DataBase Reference)
FDA UNII: 5 EYH8V6 · FRZ5EYH8V6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 20 · 20/21/22
Safety Statements: 22 · 22-36
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.