Chemical ID: 4224644

c1cc(c(c(c1)Cl)OCCCN2CCCCC2)Cl
Chemical ID:
4224644
Name [?]:
1-[3-(2,6-dichlorophenoxy)propyl]piperidine
SMILES [?]:
c1cc(c(c(c1)Cl)OCCCN2CCCCC2)Cl
InChi [?]:
InChI=1/C14H19Cl2NO/c15-12-6-4-7-13(16)14(12)18-11-5-10-17-8-2-1-3-9-17/h4,6-7H,1-3,5,8-11H2
InChi Info:
AuxInfo=1/0/N:15,14,16,1,10,2,6,13,17,11,9,3,5,4,18,7,12,8/E:(2,3)(6,7)(8,9)(12,13)(15,16)/rA:18nCCCCCCClOCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19Cl2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.80759
Area:481.913
Solvation:-2.24023
Coulombic:-14.9658
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.212
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.26
LogP (Chemaxon):3.58

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