Home Other Building Blocks 3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine

3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine

CAS No.:
1803587-09-8
Catalog Number:
AG01ACAL
Molecular Formula:
C15H18F3NO2
Molecular Weight:
301.3041
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Product Description
Catalog Number:
AG01ACAL
Chemical Name:
3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine
CAS Number:
1803587-09-8
Molecular Formula:
C15H18F3NO2
Molecular Weight:
301.3041
MDL Number:
MFCD26936007
IUPAC Name:
3-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine
InChI:
InChI=1S/C15H18F3NO2/c16-15(17,18)12-3-5-13(6-4-12)19-7-1-2-11(10-19)14-20-8-9-21-14/h3-6,11,14H,1-2,7-10H2
InChI Key:
HKURCDAEPLQOCV-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)N1CCCC(C1)C1OCCO1)(F)F
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.129g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.309g/mol
Monoisotopic Mass:
301.129g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties