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Chemical ID: 6719360
Chemical ID:
6719360
Name [?]:
phenyl 2,6-dimethylpiperidine-1-carboxylate
SMILES [?]:
CC1CCCC(N1C(=O)Oc2ccccc2)C
InChi [?]:
InChI=1/C14H19NO2/c1-11-7-6-8-12(2)15(11)14(16)17-13-9-4-3-5-10-13/h3-5,9-12H,6-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,14,13,15,4,3,5,12,16,2,6,11,8,7,9,10/E:(1,2)(4,5)(7,8)(9,10)(11,12)/rA:17cCCCCCCNCOOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s6;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.96736 |
Area: | 403.633 |
Solvation: | -1.12347 |
Coulombic: | -31.3288 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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