Chemical ID: 4414530

c1cc(cc(c1)Br)OCCN2CCCCC2
Chemical ID:
4414530
Name [?]:
1-[2-(3-bromophenoxy)ethyl]piperidine
SMILES [?]:
c1cc(cc(c1)Br)OCCN2CCCCC2
InChi [?]:
InChI=1/C13H18BrNO/c14-12-5-4-6-13(11-12)16-10-9-15-7-2-1-3-8-15/h4-6,11H,1-3,7-10H2
InChi Info:
AuxInfo=1/0/N:14,13,15,1,6,2,12,16,10,9,4,5,3,7,11,8/E:(2,3)(7,8)/rA:16nCCCCCCBrOCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18BrNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.01125
Area:428.214
Solvation:-2.69409
Coulombic:-13.0126
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:284.192
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.45
LogP (Chemaxon):3.29

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Descriptor Annotations

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