Chemical ID: 5134428

COc1ccc(cc1)CN2CCCC(C2)C(=O)O
Chemical ID:
5134428
Name [?]:
1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
SMILES [?]:
COc1ccc(cc1)CN2CCCC(C2)C(=O)O
InChi [?]:
InChI=1/C14H19NO3/c1-18-13-6-4-11(5-7-13)9-15-8-2-3-12(10-15)14(16)17/h4-7,12H,2-3,8-10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,13,5,7,4,8,11,9,15,6,14,3,16,10,17,18,2/E:(4,5)(6,7)(16,17)/rA:18cCOCCCCCCCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;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:7.32122
Area:439.372
Solvation:-3.66308
Coulombic:-38.8364
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):-0.78

Name Annotations

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Descriptor Annotations

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