Chemical ID: 4414467

CC1CCCN(C1)CCOc2ccc(cc2)Br
Chemical ID:
4414467
Name [?]:
1-[2-(4-bromophenoxy)ethyl]-3-methyl-piperidine
SMILES [?]:
CC1CCCN(C1)CCOc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H20BrNO/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,13,15,12,16,5,8,9,7,2,14,11,17,6,10/E:(4,5)(6,7)/rA:17cCCCCCNCCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20BrNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:8.51818
Area:449.493
Solvation:-2.71913
Coulombic:-13.2701
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.219
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.75
LogP (Chemaxon):3.69

Name Annotations

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Descriptor Annotations

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