Name: Name:rac-tert-butyl (3R,4S)-3-amino-4-(3,4-difluorophenyl)piperidine-1-carboxylate, cis
Brand: Angene
SKU: AG01B5OE
Rating: 90 (10 reviews)

rac-tert-butyl (3R,4S)-3-amino-4-(3,4-difluorophenyl)piperidine-1-carboxylate, cis

CAS No.:

1969287-88-4

Catalog Number:

AG01B5OE

Molecular Formula:

C16H22F2N2O2

Molecular Weight:

312.3549

Catalog Number:

AG01B5OE

Chemical Name:

rac-tert-butyl (3R,4S)-3-amino-4-(3,4-difluorophenyl)piperidine-1-carboxylate, cis

CAS Number:

1969287-88-4

Molecular Formula:

C16H22F2N2O2

Molecular Weight:

312.3549

MDL Number:

MFCD30181833

IUPAC Name:

tert-butyl (3S,4S)-3-amino-4-(3,4-difluorophenyl)piperidine-1-carboxylate

InChI:

InChI=1S/C16H22F2N2O2/c1-16(2,3)22-15(21)20-7-6-11(14(19)9-20)10-4-5-12(17)13(18)8-10/h4-5,8,11,14H,6-7,9,19H2,1-3H3/t11-,14+/m0/s1

InChI Key:

SHDNLRJVAIEXBN-SMDDNHRTSA-N

SMILES:

N[C@@H]1CN(CC[C@@H]1c1ccc(c(c1)F)F)C(=O)OC(C)(C)C

Complexity:

400

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.165g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.361g/mol

Monoisotopic Mass:

312.165g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3