tert-Butyl 3-{2-[2-(2-acetylaminoethyl)-5-fluorophenoxy]ethoxy}-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

HCID 68501136

Basic information

Standard SMILES
COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2cc(F)ccc2CCNC(C)=O)cc1
InChIKey
RNLXQHBUHFVUAH-UHFFFAOYSA-N
Molecular formula
C39H51FN2O8
Average molar mass
694.8 g/mol

Names & identifiers

Preferred name
tert-Butyl 3-{2-[2-(2-acetylaminoethyl)-5-fluorophenoxy]ethoxy}-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
IUPAC
tert-butyl 3-[2-[2-(2-acetamidoethyl)-5-fluorophenoxy]ethoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL3071466RNLXQHBUHFVUAH-UHFFFAOYSA-Ntert-Butyl 3-{2-[2-(2-acetylaminoethyl)-5-fluorophenoxy]ethoxy}-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

Database identifiers

PubChem CID
68501136

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
19
Heavy atoms
50

Related reactions

3 records

Compound notes

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