Basic information
- CAS
91419-48-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1- InChIKey
YHFUWPUJUMZXBD-UHFFFAOYSA-N- Molecular formula
- C11H20N2O3
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.1473925
Names & identifiers
- Preferred name
- 1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
- IUPAC
- tert-butyl 4-carbamoylpiperidine-1-carboxylate
- English name
- tert-Butyl 4-(aminocarbonyl)tetrahydropyridine-1(2H)-carboxylate
- Molecular formula
- C11H20N2O3
- Molecular weight
- 228.29
Names & synonyms
1-(tert-Butoxycarbonyl)piperidine-4-carboxamideRefChem:428706694-904-891419-48-6tert-butyl 4-carbamoylpiperidine-1-carboxylate1-N-Boc-Isonipecotamide1-BOC-4-piperidinecarboxamideMFCD021809531-PIPERIDINECARBOXYLIC ACID, 4-(AMINOCARBONYL)-, 1,1-DIMETHYLETHYL ESTER1-(tert-Butoxycarbonyl)-4-piperidinecarboxamide1-BOC-PIPERIDINE-4-CARBOXAMIDETERT-BUTYL 4-(AMINOCARBONYL)TETRAHYDROPYRIDINE-1(2H)-CARBOXYLATE
Show more names
4-carbamoyLBUTTPARK 95\06-10N-BOC isonipecotamideRevefenacin Impurity 431-Boc-4-carbamoylpiperidineN-BOC-4-PieridinecarboxaMideBoc-piperidine-4-carboxylate
tert-Butyl 4-(aminocarbonyl)-piperidine-1-carboxylateMLS000116974CCG-48829SY050821TL 009511-N-Boc-Piperidine-4-carboxamideB3892SR-01000095674
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 158 · 158-160
- Boiling point
- 384.4 · 384.4±31.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 16.4 · 16.40±0.20(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-8(5-7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
- InChIKey
- YHFUWPUJUMZXBD-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C(N)=O)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
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 (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 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 (100%)
Safety data
- hs_code
- 29333990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-BOC-piperidine-4-carboxamide is a common organic synthon in which the Boc group can be removed under acidic conditions, releasing the cyclohexylamine structure. Furthermore, the formamide structure on the ring can be converted to a cyano group under certain reaction conditions; and the oxygen atom on the formamide can be converted to a sulfur atom by the action of Lawesson reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
10 records
Compound notes
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