Chemical ID: 5131040

COc1ccccc1CN2CCC(CC2)C(=O)O
Chemical ID:
5131040
Name [?]:
1-[(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILES [?]:
COc1ccccc1CN2CCC(CC2)C(=O)O
InChi [?]:
InChI=1/C14H19NO3/c1-18-13-5-3-2-4-12(13)10-15-8-6-11(7-9-15)14(16)17/h2-5,11H,6-10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,12,14,11,15,9,13,8,3,16,10,17,18,2/E:(6,7)(8,9)(16,17)/rA:18nCOCCCCCCCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.98475
Area:436.145
Solvation:-3.91888
Coulombic:-38.3546
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):-1.02

Name Annotations

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Descriptor Annotations

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