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821781-38-8 | 3-Piperidinamine, N-cyclohexyl-N-[[2-(trifluoromethyl)phenyl]methyl]-
CAS No: 821781-38-8 Catalog No: AG005IT3 MDL No:
Product Description
Catalog Number:
AG005IT3
Chemical Name:
3-Piperidinamine, N-cyclohexyl-N-[[2-(trifluoromethyl)phenyl]methyl]-
CAS Number:
821781-38-8
Molecular Formula:
C19H27F3N2
Molecular Weight:
340.4263
IUPAC Name:
N-cyclohexyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
InChI:
InChI=1S/C19H27F3N2/c20-19(21,22)18-11-5-4-7-15(18)14-24(16-8-2-1-3-9-16)17-10-6-12-23-13-17/h4-5,7,11,16-17,23H,1-3,6,8-10,12-14H2
InChI Key:
MWFVLVXYSZBSJD-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1CN(C1CCCNC1)C1CCCCC1)(F)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.213g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.434g/mol
Monoisotopic Mass:
340.213g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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