Chemical ID: 4285588

COc1ccccc1OCCCCCCN2CCCCC2
Chemical ID:
4285588
Name [?]:
1-[6-(2-methoxyphenoxy)hexyl]piperidine
SMILES [?]:
COc1ccccc1OCCCCCCN2CCCCC2
InChi [?]:
InChI=1/C18H29NO2/c1-20-17-11-5-6-12-18(17)21-16-10-3-2-7-13-19-14-8-4-9-15-19/h5-6,11-12H,2-4,7-10,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,19,5,6,14,18,20,11,4,7,15,17,21,10,3,8,16,2,9/E:(8,9)(14,15)/rA:21nCOCCCCCCOCCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.08672
Area:542.041
Solvation:-4.46431
Coulombic:-21.1296
Bond Count [?]
All:22
Single:19
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:291.428
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.73
LogP (Chemaxon):3.54

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