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Chemical ID: 5084564
Chemical ID:
5084564
Name [?]:
hexyl 2-butylpiperidine-1-carboxylate
SMILES [?]:
CCCCCCOC(=O)N1CCCCC1CCCC
InChi [?]:
InChI=1/C16H31NO2/c1-3-5-7-10-14-19-16(18)17-13-9-8-12-15(17)11-6-4-2/h15H,3-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,3,17,4,13,12,5,16,14,11,6,15,8,10,9,7/rA:19cCCCCCCOCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H31NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.871 |
Area: | 522.938 |
Solvation: | -1.20243 |
Coulombic: | -32.1867 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 269.423 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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