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Home > Fluorides > 1018990-51-6
1018990-51-6 | 4-Piperidinecarboxamide, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-
CAS No: 1018990-51-6 Catalog No: AG01F32T MDL No:
Product Description
Catalog Number:
AG01F32T
Chemical Name:
4-Piperidinecarboxamide, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-
CAS Number:
1018990-51-6
Molecular Formula:
C19H22F6N2O
Molecular Weight:
408.3812
IUPAC Name:
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)piperidine-4-carboxamide
InChI:
InChI=1S/C19H22F6N2O/c20-18(21,22)14-7-13(8-15(9-14)19(23,24)25)11-27-16(28)17(10-12-1-2-12)3-5-26-6-4-17/h7-9,12,26H,1-6,10-11H2,(H,27,28)
InChI Key:
HZELMRIHKROBIZ-UHFFFAOYSA-N
SMILES:
O=C(C1(CCNCC1)CC1CC1)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.388g/mol
Monoisotopic Mass:
408.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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