Chemical ID: 5134433

COc1ccccc1CN2CCCC(C2)C(=O)O
Chemical ID:
5134433
Name [?]:
1-[(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
SMILES [?]:
COc1ccccc1CN2CCCC(C2)C(=O)O
InChi [?]:
InChI=1/C14H19NO3/c1-18-13-7-3-2-5-11(13)9-15-8-4-6-12(10-15)14(16)17/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,6,5,12,7,13,4,11,9,15,8,14,3,16,10,17,18,2/E:(16,17)/rA:18cCOCCCCCCCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.00553
Area:434.837
Solvation:-3.86538
Coulombic:-38.6047
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.306
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.6
LogP (Chemaxon):-0.76

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue