Chemical ID: 5138898

CC(c1ccccc1F)N2CCCCC2C(=O)O
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

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Descriptor Annotations

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