4-Phenoxypiperidine

HCID 18878CAS 3202-33-3

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(OC2CCNCC2)cc1
InChIKey: KBYPITRKIJKGMD-UHFFFAOYSA-N
Molecular formula: C11H15NO
Average molar mass: 177.24 g/mol

Names & identifiers

Preferred name: 4-Phenoxypiperidine
IUPAC: 4-phenoxypiperidine
English name: 4-Phenoxypiperidine
Molecular formula: C11H15NO
Molecular weight: 177.24

Names & synonyms

4-phenoxypiperidine3202-33-3Piperidine, 4-phenoxy-UNII-AOF4M4L61ZAOF4M4L61ZRefChem:100330681-811-24-Phenoxy-piperidineMFCD04114971CHEMBL39043594-Phenoxy-piperidine 1HCl salt4-(phenoxy)piperidine

Show more names

4-phenoxypiperidine, 10 mM in DMSO4phenoxypiperidine,4 phenoxypiperidine

SCHEMBL62138SCHEMBL211130SCHEMBL240230orb1299455SCHEMBL1895832SCHEMBL1895833KBYPITRKIJKGMD-UHFFFAOYSA-NALBB-019283

Database identifiers

CAS: 3202-33-3
PubChem CID: 18878
ChEMBL: CHEMBL3904359
UNII: AOF4M4L61Z
EC Number: 681-811-2

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 137

Physicochemical properties

Boiling point: 107 · 107-108°C/0.1mm
Density: 1.03 · 1.030±0.06 g/cm3(Predicted)
Flash point: 107 · 107-108°C/0.1mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.62 · 9.62±0.10(Predicted)
InChI: InChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey: KBYPITRKIJKGMD-UHFFFAOYSA-N
SMILES: N1CCC(OC2=CC=CC=C2)CC1
FDA UNII: 4 M4L61Z · AOF4M4L61Z
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
Hazard Codes: Xi
HazardClass: IRRITANT

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 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.