Chemical ID: 7025178

CCCCOc1ccc(cc1)C(=O)N2CCCC(C2)C
Chemical ID:
7025178
Name [?]:
(4-butoxyphenyl)-(3-methyl-1-piperidyl)-methanone
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)N2CCCC(C2)C
InChi [?]:
InChI=1/C17H25NO2/c1-3-4-12-20-16-9-7-15(8-10-16)17(19)18-11-5-6-14(2)13-18/h7-10,14H,3-6,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,3,16,17,8,10,7,11,15,4,19,18,9,6,12,14,13,5/E:(7,8)(9,10)/rA:20cCCCCOCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO2
All Atoms:45
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.78208
Area:498.798
Solvation:-2.68789
Coulombic:-26.6158
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.386
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):3.27

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