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Chemical ID: 3963657
Chemical ID:
3963657
Name [?]:
1-(4-fluorophenyl)piperazine
SMILES [?]:
c1cc(ccc1N2CCNCC2)F
InChi [?]:
InChI=1/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,9,11,8,12,3,6,13,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:13nCCCCCCNCCNCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13FN2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.93957 |
Area: | 329.082 |
Solvation: | -2.28747 |
Coulombic: | -18.8991 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 180.222 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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