Name: Name:(2S,4S)-1-Boc-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(1-piperazinyl)pyrrolidine
Brand: Angene
SKU: AG003BPL
Rating: 90 (10 reviews)

(2S,4S)-1-Boc-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(1-piperazinyl)pyrrolidine

CAS No.:

869489-00-9

Catalog Number:

AG003BPL

Molecular Formula:

C18H30F2N4O3

Molecular Weight:

388.4526

Catalog Number:

AG003BPL

Chemical Name:

(2S,4S)-1-Boc-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(1-piperazinyl)pyrrolidine

CAS Number:

869489-00-9

Molecular Formula:

C18H30F2N4O3

Molecular Weight:

388.4526

MDL Number:

MFCD28348660

IUPAC Name:

tert-butyl (2S,4S)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-piperazin-1-ylpyrrolidine-1-carboxylate

InChI:

InChI=1S/C18H30F2N4O3/c1-17(2,3)27-16(26)24-11-13(22-8-5-21-6-9-22)10-14(24)15(25)23-7-4-18(19,20)12-23/h13-14,21H,4-12H2,1-3H3/t13-,14-/m0/s1

InChI Key:

NEYBZYHUJLJPLN-KBPBESRZSA-N

SMILES:

O=C(N1C[C@H](C[C@H]1C(=O)N1CCC(C1)(F)F)N1CCNCC1)OC(C)(C)C

Complexity:

575

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

388.229g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

388.46g/mol

Monoisotopic Mass:

388.229g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1