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Chemical ID: 5138898
Chemical ID:
5138898
Name [?]:
1-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxylic acid
SMILES [?]:
CC(c1ccccc1F)N2CCCCC2C(=O)O
InChi [?]:
InChI=1/C14H18FNO2/c1-10(11-6-2-3-7-12(11)15)16-9-5-4-8-13(16)14(17)18/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,6,13,12,4,7,14,11,2,3,8,15,16,9,10,17,18/E:(17,18)/rA:18cCCCCCCCCFNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2;s10;s11;s12;s13;s10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18FNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.04909 |
Area: | 385.928 |
Solvation: | -2.5991 |
Coulombic: | -38.0563 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.81 |
LogP (Chemaxon): | 0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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