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Chemical ID: 6935030
Chemical ID:
6935030
Name [?]:
ethyl 1-(2-methylpentanoyl)piperidine-4-carboxylate
SMILES [?]:
CCCC(C)C(=O)N1CCC(CC1)C(=O)OCC
InChi [?]:
InChI=1/C14H25NO3/c1-4-6-11(3)13(16)15-9-7-12(8-10-15)14(17)18-5-2/h11-12H,4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,5,2,17,3,10,12,9,13,4,11,6,14,8,7,15,16/E:(7,8)(9,10)/rA:18cCCCCCCONCCCCCCOOCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H25NO3 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.11899 |
Area: | 473.045 |
Solvation: | -2.70714 |
Coulombic: | -34.6397 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 255.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.2 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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