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Chemical ID: 4193867
Chemical ID:
4193867
Name [?]:
1-[(4-fluorophenyl)methyl]-4-(2-furylmethyl)piperazine
SMILES [?]:
c1cc(oc1)CN2CCN(CC2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C16H19FN2O/c17-15-5-3-14(4-6-15)12-18-7-9-19(10-8-18)13-16-2-1-11-20-16/h1-6,11H,7-10,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,15,19,16,18,9,11,8,12,5,13,6,14,17,3,20,10,7,4/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCOCCNCCNCCCCCCCCCF/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19FN2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62706 |
Area: | 464.733 |
Solvation: | -3.99128 |
Coulombic: | -20.7845 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 274.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.98 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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