Chemical ID: 6658424

Cc1ccccc1NC2(CCN(CC2)Cc3ccccc3)C#N
Chemical ID:
6658424
Name [?]:
1-benzyl-4-(o-tolylamino)piperidine-4-carbonitrile
SMILES [?]:
Cc1ccccc1NC2(CCN(CC2)Cc3ccccc3)C#N
InChi [?]:
InChI=1/C20H23N3/c1-17-7-5-6-10-19(17)22-20(16-21)11-13-23(14-12-20)15-18-8-3-2-4-9-18/h2-10,22H,11-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,4,5,3,17,21,6,10,14,11,13,15,22,2,16,7,9,23,8,12/E:(3,4)(8,9)(11,12)(13,14)/rA:23nCCCCCCCNCCCNCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;d17;s18;d19;d16s20;s9;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.816
Area:517.013
Solvation:-2.10928
Coulombic:-23.2284
Bond Count [?]
All:25
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.417
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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