Chemical ID: 5830071

Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3cccc(c3)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue