Chemical ID: 4193867

c1cc(oc1)CN2CCN(CC2)Cc3ccc(cc3)F
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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