Ethyl N-Boc-4-(4-chlorobenzyl)piperidine-4-carboxylate - CAS 174605-91-5
Catalog: |
BB013028 |
Product Name: |
Ethyl N-Boc-4-(4-chlorobenzyl)piperidine-4-carboxylate |
CAS: |
174605-91-5 |
Synonyms: |
1-O-tert-butyl 4-O-ethyl 4-[(4-chlorophenyl)methyl]piperidine-1,4-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 4-O-ethyl 4-[(4-chlorophenyl)methyl]piperidine-1,4-dicarboxylate |
Description: | Ethyl N-Boc-4-(4-chlorobenzyl)piperidine-4-carboxylate (CAS# 174605-91-5) is a useful research chemical. |
Molecular Weight: | 381.89 |
Molecular Formula: | C20H28ClNO4 |
Canonical SMILES: | CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C20H28ClNO4/c1-5-25-17(23)20(14-15-6-8-16(21)9-7-15)10-12-22(13-11-20)18(24)26-19(2,3)4/h6-9H,5,10-14H2,1-4H3 |
InChI Key: | QTVIWIWJGWSTDC-UHFFFAOYSA-N |
Melting Point: | 69-73 °C |
Purity: | 95 % |
LogP: | 4.40080 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; 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]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2873850-A1 | Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases | 20120530 |
CA-2873850-C | Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases | 20120530 |
EP-2855449-B1 | Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases | 20120530 |
JP-2015519357-A | Therapeutic compounds | 20120530 |
JP-6177896-B2 | Therapeutic compounds | 20120530 |
Complexity: | 487 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 381.1706861 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 381.1706861 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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