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Chemical ID: 6048265
Chemical ID:
6048265
Name [?]:
ethyl tert-butyl piperidine-1,2-dicarboxylate
SMILES [?]:
CCOC(=O)C1CCCCN1C(=O)OC(C)(C)C
InChi [?]:
InChI=1/C13H23NO4/c1-5-17-11(15)10-8-6-7-9-14(10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,17,18,2,8,9,7,10,6,4,12,15,11,5,13,3,14/E:(2,3,4)/rA:18cCCOCOCCCCCNCOOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s11;d12;s12;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H23NO4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.53568 |
Area: | 443.407 |
Solvation: | -2.5495 |
Coulombic: | -48.4911 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.42 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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