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Chemical ID: 4224709
Chemical ID:
4224709
Name [?]:
1-[2-(2,6-dichlorophenoxy)ethyl]piperidine
SMILES [?]:
c1cc(c(c(c1)Cl)OCCN2CCCCC2)Cl
InChi [?]:
InChI=1/C13H17Cl2NO/c14-11-5-4-6-12(15)13(11)17-10-9-16-7-2-1-3-8-16/h4-6H,1-3,7-10H2
InChi Info:
AuxInfo=1/0/N:14,13,15,1,2,6,12,16,10,9,3,5,4,17,7,11,8/E:(2,3)(5,6)(7,8)(11,12)(14,15)/rA:17nCCCCCCClOCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23249 |
Area: | 435.105 |
Solvation: | -2.64513 |
Coulombic: | -14.2621 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 274.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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