Chemical ID: 4293985

Cc1cc(c(c(c1)C)OCCCN2CCCCC2)C
Chemical ID:
4293985
Name [?]:
1-[3-(2,4,6-trimethylphenoxy)propyl]piperidine
SMILES [?]:
Cc1cc(c(c(c1)C)OCCCN2CCCCC2)C
InChi [?]:
InChI=1/C17H27NO/c1-14-12-15(2)17(16(3)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:1,8,19,16,15,17,11,14,18,12,10,7,3,2,6,4,5,13,9/E:(2,3)(5,6)(8,9)(12,13)(15,16)/rA:19nCCCCCCCCOCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.0702
Area:485.9
Solvation:-2.07732
Coulombic:-13.8483
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:3.9
LogP (Chemaxon):3.95

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Descriptor Annotations

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