Chemical ID: 4286115

Cc1cc(c(c(c1)OCCCN2CCCCC2)C)C
Chemical ID:
4286115
Name [?]:
1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
SMILES [?]:
Cc1cc(c(c(c1)OCCCN2CCCCC2)C)C
InChi [?]:
InChI=1/C17H27NO/c1-14-12-15(2)16(3)17(13-14)19-11-7-10-18-8-5-4-6-9-18/h12-13H,4-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,15,14,16,10,13,17,11,9,3,7,2,4,5,6,12,8/E:(5,6)(8,9)/rA:19nCCCCCCCOCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.88033
Area:487.021
Solvation:-2.29519
Coulombic:-13.4867
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.402
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.11
LogP (Chemaxon):3.95

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Descriptor Annotations

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