Chemical ID: 5084503

CCCCCCOC(=O)N1CCCCC1CCCCC
Chemical ID:
5084503
Name [?]:
hexyl 2-pentylpiperidine-1-carboxylate
SMILES [?]:
CCCCCCOC(=O)N1CCCCC1CCCCC
InChi [?]:
InChI=1/C17H33NO2/c1-3-5-7-11-15-20-17(19)18-14-10-9-13-16(18)12-8-6-4-2/h16H,3-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,3,18,4,17,13,12,5,16,14,11,6,15,8,10,9,7/rA:20cCCCCCCOCONCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;s16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H33NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:12.4791
Area:546.949
Solvation:-1.19465
Coulombic:-32.4893
Bond Count [?]
All:20
Single:19
Double:1
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:283.449
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.9
LogP (Chemaxon):4.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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