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Chemical ID: 5829653
Chemical ID:
5829653
Name [?]:
1-[(2-fluorophenyl)methyl]piperidine
SMILES [?]:
c1ccc(c(c1)CN2CCCCC2)F
InChi [?]:
InChI=1/C12H16FN/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChi Info:
AuxInfo=1/0/N:11,1,2,10,12,6,3,9,13,7,5,4,14,8/E:(4,5)(8,9)/rA:14nCCCCCCCNCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16FN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.83447 |
Area: | 356.446 |
Solvation: | -2.07668 |
Coulombic: | -10.2632 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.261 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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