Chemical ID: 7025182

CC1CCCN(C1)C(=O)c2ccc(cc2)OC(C)C
Chemical ID:
7025182
Name [?]:
(4-isopropoxyphenyl)-(3-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCN(C1)C(=O)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C16H23NO2/c1-12(2)19-15-8-6-14(7-9-15)16(18)17-10-4-5-13(3)11-17/h6-9,12-13H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,19,1,4,3,11,15,12,14,5,7,17,2,10,13,8,6,9,16/E:(1,2)(6,7)(8,9)/rA:19cCCCCCNCCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO2
All Atoms:42
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.02518
Area:465.921
Solvation:-2.62285
Coulombic:-26.1349
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.359
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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