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Chemical ID: 6048439
Chemical ID:
6048439
Name [?]:
tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCCCC1CCO
InChi [?]:
InChI=1/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,11,10,12,14,9,15,13,6,2,8,16,7,5/E:(1,2,3)/rA:16cCCCCOCONCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.72075 |
Area: | 412.078 |
Solvation: | -2.58121 |
Coulombic: | -46.2465 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 229.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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