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Chemical ID: 4177743
Chemical ID:
4177743
Name [?]:
4-(1-piperidyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)CN2CCC(CC2)N3CCCCC3
InChi [?]:
InChI=1/C18H25F3N2/c19-18(20,21)16-6-4-5-15(13-16)14-22-11-7-17(8-12-22)23-9-2-1-3-10-23/h4-6,13,17H,1-3,7-12,14H2
InChi Info:
AuxInfo=1/0/N:21,20,22,1,2,6,14,16,19,23,13,17,4,11,3,5,15,7,8,9,10,12,18/E:(2,3)(7,8)(9,10)(11,12)(19,20,21)/rA:23nCCCCCCCFFFCNCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;s12;s13;s14;s15;s12s16;s15;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25F3N2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2327 |
Area: | 505.642 |
Solvation: | -2.40833 |
Coulombic: | -29.9537 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.4 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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