Chemical ID: 4298267

Cc1cc(c(c(c1)C)OCCCCCN2CCCCC2)C
Chemical ID:
4298267
Name [?]:
1-[5-(2,4,6-trimethylphenoxy)pentyl]piperidine
SMILES [?]:
Cc1cc(c(c(c1)C)OCCCCCN2CCCCC2)C
InChi [?]:
InChI=1/C19H31NO/c1-16-14-17(2)19(18(3)15-16)21-13-9-5-8-12-20-10-6-4-7-11-20/h14-15H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,18,12,17,19,13,11,16,20,14,10,7,3,2,6,4,5,15,9/E:(2,3)(6,7)(10,11)(14,15)(17,18)/rA:21nCCCCCCCCOCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.4032
Area:539.78
Solvation:-2.0913
Coulombic:-14.4236
Bond Count [?]
All:22
Single:19
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.456
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.62
LogP (Chemaxon):4.8

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Descriptor Annotations

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