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Chemical ID: 5830094
Chemical ID:
5830094
Name [?]:
N-(3-dimethylamino-2,2-dimethyl-propyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
CC(C)(CNC(=O)C1CCN(CC1)Cc2ccc(cc2)F)CN(C)C
InChi [?]:
InChI=1/C20H32FN3O/c1-20(2,15-23(3)4)14-22-19(25)17-9-11-24(12-10-17)13-16-5-7-18(21)8-6-16/h5-8,17H,9-15H2,1-4H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,16,20,17,19,9,13,10,12,14,4,22,15,8,18,6,2,21,5,23,11,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCNCOCCCNCCCCCCCCCFCNCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;s2;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32FN3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6534 |
Area: | 580.328 |
Solvation: | -3.85476 |
Coulombic: | -35.1251 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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