Chemical ID: 5850805

CC1CC(CN(C1)C(=O)c2ccccc2I)C
Chemical ID:
5850805
Name [?]:
(3,5-dimethyl-1-piperidyl)-(2-iodophenyl)-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)c2ccccc2I)C
InChi [?]:
InChI=1/C14H18INO/c1-10-7-11(2)9-16(8-10)14(17)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,12,13,11,14,3,7,5,2,4,10,15,8,16,6,9/E:(1,2)(8,9)(10,11)/rA:17cCCCCCNCCOCCCCCCIC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18INO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:9.40868
Area:438.146
Solvation:-1.54498
Coulombic:-19.3601
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:343.203
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.1
LogP (Chemaxon):3.71

Name Annotations

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Descriptor Annotations

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