Chemical ID: 4442233

CC1CCCN(C1)CCCOc2ccc(cc2Cl)Br
Chemical ID:
4442233
Name [?]:
1-[3-(4-bromo-2-chloro-phenoxy)propyl]-3-methyl-piperidine
SMILES [?]:
CC1CCCN(C1)CCCOc2ccc(cc2Cl)Br
InChi [?]:
InChI=1/C15H21BrClNO/c1-12-4-2-7-18(11-12)8-3-9-19-15-6-5-13(16)10-14(15)17/h5-6,10,12H,2-4,7-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,9,3,14,13,5,8,10,16,7,2,15,17,12,19,18,6,11/rA:19cCCCCCNCCCCOCCCCCCClBr/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21BrClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:10.261
Area:507.952
Solvation:-2.43782
Coulombic:-14.0636
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.69
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.73
LogP (Chemaxon):4.26

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