Chemical ID: 4288574

CCCCCCOc1ccc(cc1)CN2CCN(CC2)CC
Chemical ID:
4288574
Name [?]:
1-ethyl-4-[(4-hexoxyphenyl)methyl]piperazine
SMILES [?]:
CCCCCCOc1ccc(cc1)CN2CCN(CC2)CC
InChi [?]:
InChI=1/C19H32N2O/c1-3-5-6-7-16-22-19-10-8-18(9-11-19)17-21-14-12-20(4-2)13-15-21/h8-11H,3-7,12-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,3,4,5,10,12,9,13,17,19,16,20,6,14,11,8,18,15,7/E:(8,9)(10,11)(12,13)(14,15)/rA:22nCCCCCCOCCCCCCCNCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s17;s18;s15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H32N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.3777
Area:565.852
Solvation:-2.76858
Coulombic:-19.3812
Bond Count [?]
All:23
Single:20
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.47
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.24
LogP (Chemaxon):3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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