Chemical ID: 5084564

CCCCCCOC(=O)N1CCCCC1CCCC
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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