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Chemical ID: 4196512
Chemical ID:
4196512
Name [?]:
(2,4-dimethoxyphenyl)-(1-piperidyl)methanone
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H19NO3/c1-17-11-6-7-12(13(10-11)18-2)14(16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,17,4,5,14,18,8,3,6,7,11,13,12,2,9/E:(4,5)(8,9)/rA:18nCOCCCCCCOCCONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.13074 |
Area: | 429.84 |
Solvation: | -4.61525 |
Coulombic: | -30.8347 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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