Basic information
- CAS
144222-22-0- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CN)CC1- InChIKey
KLKBCNDBOVRQIJ-UHFFFAOYSA-N- Molecular formula
- C11H22N2O2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.16812794
Names & identifiers
- Preferred name
- 1-Boc-4-(aminomethyl)piperidine
- IUPAC
- tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
- English name
- 1-Boc-4-(aminomethyl)piperidine
- Molecular formula
- C11H22N2O2
- Molecular weight
- 214.31
Names & synonyms
1-Boc-4-(aminomethyl)piperidinetert-butyl 4-(aminomethyl)piperidine-1-carboxylateDTXSID10353110RefChem:430093DTXCID20304173628-804-2672-194-0144222-22-01-Boc-4-Aminomethylpiperidine1-Boc-4-aminomethyl-piperidineMFCD010762074-(Aminomethyl)-1-N-Boc-piperidine
Show more names
4-(aminomethBOC-PIP(4-AM)CAS:144222-22-0BUTTPARK 90\06-09)piperidine-1-carboxyL1-Boc-4-aminomethylpiperi...1-Boc-4-aMinoMethylpiperdine1-BOC-4-PIPERIDYLMETHYLAMINE
N-Boc-4-(aminomethyl)piperidine1-n-boc-4-(aminomethyl)piperidineboc-4-(aminomethyl)-piperidine4-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-(aminomethyl)-, 1,1-dimethylethyl ester4-Aminomethyl-1-Boc-piperidine1-tert-Butoxycarbonyl-4-aminomethylpiperidine4-(aminomethyl)-1-BOC-piperidine
Database identifiers
- CAS
144222-22-0- PubChem CID
- 736817
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 237 · 237-238 °C(lit.)
- Density
- 1.013 g/mL · 1.013 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.473(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in chloroform and methanol.
- form
- Liquid or Low Melting Solid
- pka
- 10.13 · 10.13±0.29(Predicted)
- color
- Colorless to yellow
- InChI
- InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8,12H2,1-3H3
- InChIKey
- KLKBCNDBOVRQIJ-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(CN)CC1
- CAS DataBase Reference
- 144222 · 144222-22-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (98%)
Safety data
- F
- 10-34
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3082 9 / PGIII
- hs_code
- 29339900
- risk_code
- 36/37/38-34-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,C,N
- safety_code
- 26-36-45-36/37/39-24/25-23-61
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335-H400
- REACH Registrations
- Active
- Precautionary statements
- P261-P273-P305+P351+P338-P280a-P304+P340-P405-P501a
Chemistry & industry
Applications
Uses1-Boc-4-(aminomethyl)piperidine is a protected 4-substituted piperidinecarboxylate used in the preparation of orally active platelet-activating factor antagonists as well as other biologically active compounds.
Uses1-Boc-4-(aminomethyl)piperidine is used in the preparation biologically active compounds and orally active platelet-activating factor antagonists. It is used as an inhibitor for Kinesin spindle protein. It is an active reactant involved in the enantioselective synthesis of N-alkyl terminal aziridines.Precursor in the preparation of a variety of different protein agonists or antagonists including: Orphan G-protein coupled receptor GPR119 agonist with antidiabetic potential, Pim-1 inhibitors, and Aspartic acid protease inhibitors.
Upstream & downstream products
Upstream raw materials
Related reactions
281 records
Compound notes
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