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Chemical ID: 4177769
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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