N-Boc-4-(4-bromophenyl)piperidine - CAS 769944-78-7
Catalog: |
BB035781 |
Product Name: |
N-Boc-4-(4-bromophenyl)piperidine |
CAS: |
769944-78-7 |
Synonyms: |
4-(4-bromophenyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate |
Description: | N-Boc-4-(4-bromophenyl)piperidine (CAS# 769944-78-7) is a useful research chemical. |
Molecular Weight: | 340.26 |
Molecular Formula: | C16H22BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3 |
InChI Key: | UEOHLUHRQWYQRT-UHFFFAOYSA-N |
Boiling Point: | 358.95 °C at 760 mmHg |
Density: | 1.104 g/cm3 |
MDL: | MFCD09878774 |
LogP: | 4.50150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021052892-A1 | Piperidinyl amine compounds for the treatment of autoimmune disease | 20190916 |
WO-2020251971-A1 | Smarca degraders and uses thereof | 20190610 |
WO-2020210630-A1 | Tricyclic degraders of ikaros and aiolos | 20190412 |
WO-2020160710-A1 | Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist | 20190207 |
TW-202045507-A | Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as tlr7 agonist | 20190207 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 339.08339 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 339.08339 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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