Chemical ID: 4177769

COc1cccc(c1)N2CCN(CC2)Cc3ccco3
Chemical ID:
4177769
Name [?]:
1-(2-furylmethyl)-4-(3-methoxyphenyl)-piperazine
SMILES [?]:
COc1cccc(c1)N2CCN(CC2)Cc3ccco3
InChi [?]:
InChI=1/C16H20N2O2/c1-19-15-5-2-4-14(12-15)18-9-7-17(8-10-18)13-16-6-3-11-20-16/h2-6,11-12H,7-10,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,18,6,4,17,11,13,10,14,19,8,15,7,3,16,12,9,2,20/E:(7,8)(9,10)/rA:20nCOCCCCCCNCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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:7.61394
Area:468.765
Solvation:-4.10518
Coulombic:-25.4625
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

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Descriptor Annotations

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