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Chemical ID: 5324917
Chemical ID:
5324917
Name [?]:
(4-fluorophenyl)-[1-(4-phenylbutyl)-4-piperidyl]-methanone
SMILES [?]:
c1ccc(cc1)CCCCN2CCC(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,8,9,3,5,7,20,24,21,23,13,15,10,12,16,4,19,14,22,17,25,11,18/E:(2,3)(6,7)(9,10)(11,12)(13,14)(16,17)/rA:25nCCCCCCCCCCNCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26FNO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0339 |
Area: | 582.154 |
Solvation: | -3.51991 |
Coulombic: | -19.2611 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.446 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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