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Chemical ID: 4335195
Chemical ID:
4335195
Name [?]:
1-benzyl-4-isopropyl-piperazine
SMILES [?]:
CC(C)N1CCN(CC1)Cc2ccccc2
InChi [?]:
InChI=1/C14H22N2/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,13,15,12,16,6,8,5,9,10,2,11,7,4/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:16nCCCNCCNCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77116 |
Area: | 411.664 |
Solvation: | -1.52045 |
Coulombic: | -11.6007 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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