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Chemical ID: 7512758
Chemical ID:
7512758
Name [?]:
ethyl 1-(3-methylcyclohexyl)piperidine-2-carboxylate
SMILES [?]:
CCOC(=O)C1CCCCN1C2CCCC(C2)C
InChi [?]:
InChI=1/C15H27NO2/c1-3-18-15(17)14-9-4-5-10-16(14)13-8-6-7-12(2)11-13/h12-14H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,8,9,14,15,13,7,10,17,16,12,6,4,11,5,3/rA:18cCCOCOCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s11;s12;s13;s14;s15;s12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H27NO2 |
All Atoms: | 45 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.0856 |
Area: | 423.098 |
Solvation: | -1.49186 |
Coulombic: | -26.4065 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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