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Chemical ID: 5185910
Chemical ID:
5185910
Name [?]:
1-(3-methyl-1-piperidyl)butan-1-one
SMILES [?]:
CCCC(=O)N1CCCC(C1)C
InChi [?]:
InChI=1/C10H19NO/c1-3-5-10(12)11-7-4-6-9(2)8-11/h9H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,3,9,7,11,10,4,6,5/rA:12cCCCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.248 |
Area: | 351.461 |
Solvation: | -1.53853 |
Coulombic: | -16.3928 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 169.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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