Chemical ID: 6048265

CCOC(=O)C1CCCCN1C(=O)OC(C)(C)C
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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Descriptor Annotations

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