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Chemical ID: 5830071
Chemical ID:
5830071
Name [?]:
1-[(3-hydroxyphenyl)methyl]-N-(p-tolylmethyl)piperidine-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3cccc(c3)O
InChi [?]:
InChI=1/C21H26N2O2/c1-16-5-7-17(8-6-16)14-22-21(25)19-9-11-23(12-10-19)15-18-3-2-4-20(24)13-18/h2-8,13,19,24H,9-12,14-15H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,3,7,4,6,13,17,14,16,24,8,18,2,5,19,12,23,10,9,15,25,11/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCNCOCCCNCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9896 |
Area: | 581.748 |
Solvation: | -3.55415 |
Coulombic: | -43.4435 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.443 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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