Chemical ID: 5309776

c1cc(ccc1CN2CCCC(C2)C(=O)N3CCCCC3)Br
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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Descriptor Annotations

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