Chemical ID: 4288622

CC(C)(C)C1CCC(CC1)N2CCN(CC2)Cc3ccccc3
Chemical ID:
4288622
Name [?]:
1-benzyl-4-(4-tert-butylcyclohexyl)-piperazine
SMILES [?]:
CC(C)(C)C1CCC(CC1)N2CCN(CC2)Cc3ccccc3
InChi [?]:
InChI=1/C21H34N2/c1-21(2,3)19-9-11-20(12-10-19)23-15-13-22(14-16-23)17-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,20,22,19,23,6,10,7,9,13,15,12,16,17,18,5,8,2,14,11/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:23nCCCCCCCCCCNCCNCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H34N2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.8366
Area:534.905
Solvation:-1.53603
Coulombic:-13.2896
Bond Count [?]
All:25
Single:22
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.508
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.43
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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