Chemical ID: 7025168

CC1CCCN(C1)C(=O)COc2ccccc2OC
Chemical ID:
7025168
Name [?]:
2-(2-methoxyphenoxy)-1-(3-methyl-1-piperidyl)-ethanone
SMILES [?]:
CC1CCCN(C1)C(=O)COc2ccccc2OC
InChi [?]:
InChI=1/C15H21NO3/c1-12-6-5-9-16(10-12)15(17)11-19-14-8-4-3-7-13(14)18-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,15,14,4,3,16,13,5,7,10,2,17,12,8,6,9,18,11/rA:19cCCCCCNCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO3
All Atoms:40
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.59256
Area:464.033
Solvation:-6.00827
Coulombic:-30.8587
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.332
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.06
LogP (Chemaxon):1.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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