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Chemical ID: 5004989
Chemical ID:
5004989
Name [?]:
isopropyl piperidine-1-carboxylate
SMILES [?]:
CC(C)OC(=O)N1CCCCC1
InChi [?]:
InChI=1/C9H17NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,12,2,5,7,6,4/E:(1,2)(4,5)(6,7)/rA:12nCCCOCONCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42606 |
Area: | 346.67 |
Solvation: | -1.2407 |
Coulombic: | -29.7967 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.77 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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