Chemical ID: 4760392

CCOC(=O)c1ccc(c(c1)N)N2CCCCC2
Chemical ID:
4760392
Name [?]:
ethyl 3-amino-4-(1-piperidyl)benzoate
SMILES [?]:
CCOC(=O)c1ccc(c(c1)N)N2CCCCC2
InChi [?]:
InChI=1/C14H20N2O2/c1-2-18-14(17)11-6-7-13(12(15)10-11)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,7,8,14,18,11,6,10,9,4,12,13,5,3/E:(4,5)(8,9)/rA:18nCCOCOCCCCCCNNCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.10528
Area:448.942
Solvation:-2.11827
Coulombic:-43.0457
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.321
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.64
LogP (Chemaxon):2.14

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