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Chemical ID: 5309776
Chemical ID:
5309776
Name [?]:
[1-[(4-bromophenyl)methyl]-3-piperidyl]-(1-piperidyl)methanone
SMILES [?]:
c1cc(ccc1CN2CCCC(C2)C(=O)N3CCCCC3)Br
InChi [?]:
InChI=1/C18H25BrN2O/c19-17-8-6-15(7-9-17)13-20-10-4-5-16(14-20)18(22)21-11-2-1-3-12-21/h6-9,16H,1-5,10-14H2
InChi Info:
AuxInfo=1/0/N:19,18,20,10,11,1,5,2,4,9,17,21,7,13,6,12,3,14,22,8,16,15/E:(2,3)(6,7)(8,9)(11,12)/rA:22cCCCCCCCNCCCCCCONCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s12;d14;s14;s16;s17;s18;s19;s16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25BrN2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.528 |
Area: | 520.794 |
Solvation: | -2.49187 |
Coulombic: | -22.2344 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 365.308 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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