Chemical ID: 4119506

Cc1ccccc1CN2CCNCC2
Chemical ID:
4119506
Name [?]:
1-(o-tolylmethyl)piperazine
SMILES [?]:
Cc1ccccc1CN2CCNCC2
InChi [?]:
InChI=1/C12H18N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,11,13,10,14,8,2,7,12,9/E:(6,7)(8,9)/rA:14nCCCCCCCCNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.72273
Area:364.505
Solvation:-1.38989
Coulombic:-14.8113
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.61
LogP (Chemaxon):1.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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