Chemical ID: 4196512

COc1ccc(c(c1)OC)C(=O)N2CCCCC2
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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Descriptor Annotations

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