Chemical ID: 5114799

CCc1ccc(cc1)C(C)N2CCCC(C2)C(=O)O
Chemical ID:
5114799
Name [?]:
1-[1-(4-ethylphenyl)ethyl]piperidine-3-carboxylic acid
SMILES [?]:
CCc1ccc(cc1)C(C)N2CCCC(C2)C(=O)O
InChi [?]:
InChI=1/C16H23NO2/c1-3-13-6-8-14(9-7-13)12(2)17-10-4-5-15(11-17)16(18)19/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,2,13,14,4,8,5,7,12,16,9,3,6,15,17,11,18,19/E:(6,7)(8,9)(18,19)/rA:19cCCCCCCCCCCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s9;s11;s12;s13;s14;s11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:9.55881
Area:464.454
Solvation:-2.05253
Coulombic:-33.1443
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.359
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.12
LogP (Chemaxon):0.75

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