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Chemical ID: 4224644
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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