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Home > Fluorides > 1260894-09-4
1260894-09-4 | Carbamic acid, N-[[4-(trifluoromethyl)-4-piperidinyl]methyl]-, phenylmethyl ester
CAS No: 1260894-09-4 Catalog No: AG000RKT MDL No:MFCD11848172
Product Description
Catalog Number:
AG000RKT
Chemical Name:
Carbamic acid, N-[[4-(trifluoromethyl)-4-piperidinyl]methyl]-, phenylmethyl ester
CAS Number:
1260894-09-4
Molecular Formula:
C15H19F3N2O2
Molecular Weight:
316.3188
MDL Number:
MFCD11848172
IUPAC Name:
benzyl N-[[4-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C15H19F3N2O2/c16-15(17,18)14(6-8-19-9-7-14)11-20-13(21)22-10-12-4-2-1-3-5-12/h1-5,19H,6-11H2,(H,20,21)
InChI Key:
CTGNJRPZZMJLAS-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC1(CCNCC1)C(F)(F)F
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.14g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.324g/mol
Monoisotopic Mass:
316.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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