Name: Name:4-PiperidinaMine, 1-[3,5-bis(trifluoroMethyl)benzoyl]-2-[(4-chlorophenyl)Methyl]-, (2R,4S)- (9CI)
Brand: Angene
SKU: AG00ABHZ
Rating: 90 (10 reviews)

4-PiperidinaMine, 1-[3,5-bis(trifluoroMethyl)benzoyl]-2-[(4-chlorophenyl)Methyl]-, (2R,4S)- (9CI)

CAS No.:

177707-22-1

Catalog Number:

AG00ABHZ

Molecular Formula:

C21H19ClF6N2O

Molecular Weight:

464.8318

Catalog Number:

AG00ABHZ

Chemical Name:

4-PiperidinaMine, 1-[3,5-bis(trifluoroMethyl)benzoyl]-2-[(4-chlorophenyl)Methyl]-, (2R,4S)- (9CI)

CAS Number:

177707-22-1

Molecular Formula:

C21H19ClF6N2O

Molecular Weight:

464.8318

MDL Number:

MFCD22741812

IUPAC Name:

[(2R,4S)-4-amino-2-[(4-chlorophenyl)methyl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

InChI:

InChI=1S/C21H19ClF6N2O/c22-16-3-1-12(2-4-16)7-18-11-17(29)5-6-30(18)19(31)13-8-14(20(23,24)25)10-15(9-13)21(26,27)28/h1-4,8-10,17-18H,5-7,11,29H2/t17-,18+/m0/s1

InChI Key:

SGIWQNAAHBXXIF-ZWKOTPCHSA-N

SMILES:

N[C@H]1CCN([C@@H](C1)Cc1ccc(cc1)Cl)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Complexity:

598

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

464.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

464.836g/mol

Monoisotopic Mass:

464.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4