Chemical ID: 4179763

Cc1cc(c(c(c1)OCCN2CCCCC2)C)C
Chemical ID:
4179763
Name [?]:
1-[2-(2,3,5-trimethylphenoxy)ethyl]piperidine
SMILES [?]:
Cc1cc(c(c(c1)OCCN2CCCCC2)C)C
InChi [?]:
InChI=1/C16H25NO/c1-13-11-14(2)15(3)16(12-13)18-10-9-17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,17,14,13,15,12,16,10,9,3,7,2,4,5,6,11,8/E:(5,6)(7,8)/rA:18nCCCCCCCOCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s11s15;s5;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.6808
Area:457.51
Solvation:-2.75695
Coulombic:-12.7814
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.75
LogP (Chemaxon):3.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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