Chemical ID: 6522449

c1cc(ccc1C(=O)N2CCCCC2CO)Br
Chemical ID:
6522449
Name [?]:
(4-bromophenyl)-[2-(hydroxymethyl)-1-piperidyl]-methanone
SMILES [?]:
c1cc(ccc1C(=O)N2CCCCC2CO)Br
InChi [?]:
InChI=1/C13H16BrNO2/c14-11-6-4-10(5-7-11)13(17)15-8-2-1-3-12(15)9-16/h4-7,12,16H,1-3,8-9H2
InChi Info:
AuxInfo=1/0/N:12,11,13,1,5,2,4,10,15,6,3,14,7,17,9,16,8/E:(4,5)(6,7)/rA:17cCCCCCCCONCCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16BrNO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.66775
Area:414.339
Solvation:-2.69073
Coulombic:-34.6039
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.176
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.56
LogP (Chemaxon):2.33

Name Annotations

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Descriptor Annotations

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