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Chemical ID: 4665681
Chemical ID:
4665681
Name [?]:
1-benzyl-4-tert-butyl-piperazine
SMILES [?]:
CC(C)(C)N1CCN(CC1)Cc2ccccc2
InChi [?]:
InChI=1/C15H24N2/c1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,14,16,13,17,7,9,6,10,11,12,2,8,5/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:17nCCCCNCCNCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09782 |
Area: | 424.68 |
Solvation: | -1.51918 |
Coulombic: | -11.6397 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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