4-Phenylpiperidine
Completing data — refresh the page later to see the latest
Basic information
- CAS
771-99-3- Standard SMILES
c1ccc(C2CCNCC2)cc1- InChIKey
UTBULQCHEUWJNV-UHFFFAOYSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Names & identifiers
- Preferred name
- 4-Phenylpiperidine
- IUPAC
- 4-phenylpiperidine
- English name
- 4-Phenylpiperidine
- Molecular formula
- C11H15N
- Molecular weight
- 161.24
Names & synonyms
4-Phenylpiperidine771-99-38V8IM567WTDTXSID40227890NSC-89743RefChem:100377DTXCID90150381212-243-14-Phenyl-piperidinePiperidine, 4-phenyl-MFCD000060024-Phenyl piperidine
Show more names
NSC 897434-PHENYLPIPERDINEAKOS BBS-00003581TIMTEC-BB SBB003943RARECHEM AH CK 01604-Phenyl piperadine4-Phenylpiperidine>4-PHENYLPIPERIDINE,99%
4-(phenyl)piperidine(4-phenyl)piperidineEINECS 212-243-1SCHEMBL4574CHEMBL20969CS-D0605AKOS000208931AB00564
Database identifiers
- CAS
771-99-3- PubChem CID
- 69873
- DTXSID
DTXSID40227890- ChEMBL
CHEMBL20969- UNII
- 8V8IM567WT
- EC Number
- 212-243-1
- Nikkaji
- J99J
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
Kovats Retention Index1454
Physicochemical properties
- Melting point
- 61 · 61-65 °C (lit.)
- Boiling point
- 286 °C · 286 °C(lit.)
- Density
- 1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.588(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Powder
- pka
- 10.2 · 10.20±0.10(Predicted)
- color
- Yellow to brown
- Water Solubility
- Soluble in water.
- BRN
- 124508 · 124508
- InChI
- InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (96%)
Safety data
- F
- 10
- wgk
- 3
- rtecs
- TM2625000
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29333990
- risk_code
- 36/37/38-34-11-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xi,C,F
- safety_code
Chemistry & industry
Applications
Uses4-Phenylpiperidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
Definition4-Phenylpiperidine is a benzene ring bound to a piperidine ring. It is the base structure for a variety of opioids, such as pethidine (meperidine), ketobemidone, alvimopan, loperamide, and diphenoxylate.
Related reactions
17,507 records
Compound notes
Loading…