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Chemical ID: 5114360
Chemical ID:
5114360
Name [?]:
(4-ethyl-2,2,5,5-tetramethyl-piperazin-1-yl)-phenyl-methanone
SMILES [?]:
CCN1CC(N(CC1(C)C)C(=O)c2ccccc2)(C)C
InChi [?]:
InChI=1/C17H26N2O/c1-6-18-12-17(4,5)19(13-16(18,2)3)15(20)14-10-8-7-9-11-14/h7-11H,6,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,10,19,20,2,16,15,17,14,18,4,7,13,11,8,5,3,6,12/E:(2,3)(4,5)(8,9)(10,11)/rA:20cCCNCCNCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s8;s6;d11;s11;s13;d14;s15;d16;d13s17;s5;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.51158 |
Area: | 454.411 |
Solvation: | -1.84869 |
Coulombic: | -24.0218 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.401 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.39 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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