Ethyl N-Boc-4-(4-fluorobenzyl)piperidine-4-carboxylate - CAS 917755-77-2

Name: Ethyl N-Boc-4-(4-fluorobenzyl)piperidine-4-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040346
Product Name:	Ethyl N-Boc-4-(4-fluorobenzyl)piperidine-4-carboxylate
CAS:	917755-77-2
Synonyms:	1-O-tert-butyl 4-O-ethyl 4-[(4-fluorophenyl)methyl]piperidine-1,4-dicarboxylate

Technical Data

IUPAC Name:	1-O-tert-butyl 4-O-ethyl 4-[(4-fluorophenyl)methyl]piperidine-1,4-dicarboxylate
Description:	Ethyl N-Boc-4-(4-fluorobenzyl)piperidine-4-carboxylate (CAS# 917755-77-2 ) is a useful research chemical.
Molecular Weight:	365.44
Molecular Formula:	C20H28FNO4
Canonical SMILES:	CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2=CC=C(C=C2)F
InChI:	InChI=1S/C20H28FNO4/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:	KIIYXHXWARGQKK-UHFFFAOYSA-N
Purity:	95 %
MDL:	MFCD09038430
LogP:	3.88650

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P316, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
AU-2021101745-A4	Control system and working method of vertical purple sweet potato-pear composite vinegar fermentation tank	20210406
WO-2020094018-A1	Spiro aromatic ring compound and application thereof	20181106
CN-111566104-A	Spiro aromatic ring compound and application thereof	20181106
CN-111592525-A	Spiro aromatic ring compound and application thereof	20181106
CN-111592525-B	Spiro aromatic ring compound and application thereof	20181106

Complexity:	487
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	365.20023654
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	365.20023654
Rotatable Bond Count:	7
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7