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Chemical ID: 5088871
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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