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Chemical ID: 5001952
Chemical ID:
5001952
Name [?]:
1-[1-(4-isopropylphenyl)ethyl]piperazine
SMILES [?]:
CC(C)c1ccc(cc1)C(C)N2CCNCC2
InChi [?]:
InChI=1/C15H24N2/c1-12(2)14-4-6-15(7-5-14)13(3)17-10-8-16-9-11-17/h4-7,12-13,16H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,11,5,9,6,8,14,16,13,17,2,10,4,7,15,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:17cCCCCCCCCCCCNCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.50377 |
Area: | 431.452 |
Solvation: | -1.28253 |
Coulombic: | -15.7789 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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