Chemical ID: 4192234

Cc1ccccc1CN2CCN(CC2)C(=O)c3ccccc3
Chemical ID:
4192234
Name [?]:
[4-(o-tolylmethyl)piperazin-1-yl]-phenyl-methanone
SMILES [?]:
Cc1ccccc1CN2CCN(CC2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C19H22N2O/c1-16-7-5-6-10-18(16)15-20-11-13-21(14-12-20)19(22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,4,5,3,18,22,6,10,14,11,13,8,2,17,7,15,9,12,16/E:(3,4)(8,9)(11,12)(13,14)/rA:22nCCCCCCCCNCCNCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1604
Area:498.939
Solvation:-2.31303
Coulombic:-24.9207
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.391
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.36
LogP (Chemaxon):3.24

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