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Chemical ID: 5011766
Chemical ID:
5011766
Name [?]:
2-(5-bromo-2-methoxy-phenyl)piperidine
SMILES [?]:
COc1ccc(cc1C2CCCCN2)Br
InChi [?]:
InChI=1/C12H16BrNO/c1-15-12-6-5-9(13)8-10(12)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,5,4,13,7,6,8,9,3,15,14,2/rA:15cCOCCCCCCCCCCCNBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16BrNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.94154 |
Area: | 392.061 |
Solvation: | -1.85999 |
Coulombic: | -17.4956 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.166 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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