Chemical ID: 5114360

CCN1CC(N(CC1(C)C)C(=O)c2ccccc2)(C)C
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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