1-Phenyl-4-piperidinone

HCID 413009CAS 19125-34-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCN(c2ccccc2)CC1
InChIKey: VPGLFNOKHAIGEC-UHFFFAOYSA-N
Molecular formula: C11H13NO
Average molar mass: 175.23 g/mol
Monoisotopic mass: 175.09971404

Names & identifiers

Preferred name: 1-Phenyl-4-piperidinone
IUPAC: 1-phenylpiperidin-4-one
English name: 1-N-PHENYL-PIPERIDIN-4-ONE
Molecular formula: C11H13NO
Molecular weight: 175.23

Names & synonyms

1-PHENYL-4-PIPERIDINONERefChem:435650805-098-61-phenylpiperidin-4-one19125-34-9N-Phenylpiperidin-4-one4-Piperidinone, 1-phenyl-MFCD07367770phenyl-4 piperidoneN-Phenyl-4-piperidone1-Phenyl-piperidin-4-one4-Piperidone, 1-phenyl-

Show more names

1-Phenyl-4-piperidone4-Piperidinone,1-phenyl-1-N-PHENYL-PIPERIDIN-4-ONE1-phenylpiperidin-4-one(SALTDATA: FREE)

SCHEMBL532107SCHEMBL1810917SCHEMBL27557273DTXSID80328673VPGLFNOKHAIGEC-UHFFFAOYSA-NAKOS000196629AB31242CS-W005481

Database identifiers

CAS: 19125-34-9
PubChem CID: 413009
DTXSID: DTXSID80328673
EC Number: 805-098-6
Nikkaji: J814.521K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 36.5 · 36.5-37.2℃
storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to brown Solid
InChI: InChI=1S/C11H13NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey: VPGLFNOKHAIGEC-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)CCC(=O)CC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P