Chemical ID: 4527847

CC1CCCCN1C(=O)c2ccccc2I
Chemical ID:
4527847
Name [?]:
(2-iodophenyl)-(2-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCCN1C(=O)c2ccccc2I
InChi [?]:
InChI=1/C13H16INO/c1-10-6-4-5-9-15(10)13(16)11-7-2-3-8-12(11)14/h2-3,7-8,10H,4-6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,4,5,3,11,14,6,2,10,15,8,16,7,9/rA:16cCCCCCCNCOCCCCCCI/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16INO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.66584
Area:402.217
Solvation:-1.38958
Coulombic:-18.7646
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.177
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.96
LogP (Chemaxon):3.32

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Descriptor Annotations

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