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Chemical ID: 6372483
Chemical ID:
6372483
Name [?]:
1-(4-butanoylpiperazin-1-yl)butan-1-one
SMILES [?]:
CCCC(=O)N1CCN(CC1)C(=O)CCC
InChi [?]:
InChI=1/C12H22N2O2/c1-3-5-11(15)13-7-9-14(10-8-13)12(16)6-4-2/h3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,15,3,14,7,11,8,10,4,12,6,9,5,13/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)/rA:16nCCCCONCCNCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94229 |
Area: | 433.002 |
Solvation: | -2.88276 |
Coulombic: | -30.9277 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 226.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.93 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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