Chemical ID: 4171819

CCOC(=O)C1CCCN(C1)Cc2ccc(cc2)C(F)(F)F
Chemical ID:
4171819
Name [?]:
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)Cc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C16H20F3NO2/c1-2-22-15(21)13-4-3-9-20(11-13)10-12-5-7-14(8-6-12)16(17,18)19/h5-8,13H,2-4,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,14,18,15,17,9,12,11,13,6,16,4,19,20,21,22,10,5,3/E:(5,6)(7,8)(17,18,19)/rA:22cCCOCOCCCCNCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20F3NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.57556
Area:499.277
Solvation:-2.90637
Coulombic:-43.4147
Bond Count [?]
All:23
Single:19
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:315.331
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.36
LogP (Chemaxon):3.39

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Descriptor Annotations

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