Chemical ID: 4235755

Cc1ccc(c(c1C)OCCCCN2CCNCC2)C
Chemical ID:
4235755
Name [?]:
1-[4-(2,3,6-trimethylphenoxy)butyl]piperazine
SMILES [?]:
Cc1ccc(c(c1C)OCCCCN2CCNCC2)C
InChi [?]:
InChI=1/C17H28N2O/c1-14-6-7-15(2)17(16(14)3)20-13-5-4-10-19-11-8-18-9-12-19/h6-7,18H,4-5,8-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,8,12,11,3,4,16,18,13,15,19,10,2,5,7,6,17,14,9/E:(8,9)(11,12)/rA:20nCCCCCCCCOCCCCNCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.2387
Area:505.735
Solvation:-2.40463
Coulombic:-22.1318
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.417
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.8
LogP (Chemaxon):3.12

Name Annotations

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Descriptor Annotations

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