Chemical ID: 5088871

COc1ccccc1N2CCN(CC2)Cc3ccco3
Chemical ID:
5088871
Name [?]:
1-(2-furylmethyl)-4-(2-methoxyphenyl)-piperazine
SMILES [?]:
COc1ccccc1N2CCN(CC2)Cc3ccco3
InChi [?]:
InChI=1/C16H20N2O2/c1-19-16-7-3-2-6-15(16)18-10-8-17(9-11-18)13-14-5-4-12-20-14/h2-7,12H,8-11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,18,17,7,4,11,13,10,14,19,15,16,8,3,12,9,2,20/E:(8,9)(10,11)/rA:20nCOCCCCCCNCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.00741
Area:466.939
Solvation:-4.66607
Coulombic:-25.4663
Bond Count [?]
All:22
Single:17
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.342
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.2
LogP (Chemaxon):2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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