Home Halogens Methyl 2-((R)-(3-chlorophenyl)((R)-piperidin-3-yl)Methoxy)ethylcarbaMate (2,2,2-trifluoroacetate)

Methyl 2-((R)-(3-chlorophenyl)((R)-piperidin-3-yl)Methoxy)ethylcarbaMate (2,2,2-trifluoroacetate)

CAS No.:
942142-81-6
Catalog Number:
AG00GU48
Molecular Formula:
C18H24ClF3N2O5
Molecular Weight:
440.8418
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00GU48
Chemical Name:
Methyl 2-((R)-(3-chlorophenyl)((R)-piperidin-3-yl)Methoxy)ethylcarbaMate (2,2,2-trifluoroacetate)
CAS Number:
942142-81-6
Molecular Formula:
C18H24ClF3N2O5
Molecular Weight:
440.8418
MDL Number:
MFCD18642694
IUPAC Name:
methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C16H23ClN2O3.C2HF3O2/c1-21-16(20)19-8-9-22-15(13-5-3-7-18-11-13)12-4-2-6-14(17)10-12;3-2(4,5)1(6)7/h2,4,6,10,13,15,18H,3,5,7-9,11H2,1H3,(H,19,20);(H,6,7)/t13-,15+;/m1./s1
InChI Key:
QVECGAGRNXWTGM-PBCQUBLHSA-N
SMILES:
OC(=O)C(F)(F)F.COC(=O)NCCO[C@@H](c1cccc(c1)Cl)[C@@H]1CCCNC1
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
440.133g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
440.844g/mol
Monoisotopic Mass:
440.133g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties