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Chemical ID: 6048453
Chemical ID:
6048453
Name [?]:
tert-butyl 2-(2-piperidyl)ethylaminoformate
SMILES [?]:
CC(C)(C)OC(=O)NCCC1CCCCN1
InChi [?]:
InChI=1/C12H24N2O2/c1-12(2,3)16-11(15)14-9-7-10-6-4-5-8-13-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,14,12,10,15,9,11,6,2,16,8,7,5/E:(1,2,3)/rA:16cCCCCOCONCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.24496 |
Area: | 434.85 |
Solvation: | -1.62629 |
Coulombic: | -42.7673 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.331 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.05 |
LogP (Chemaxon): | 0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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