ChemDB: Chemical Search
Download
Chemical ID: 4736457
Chemical ID:
4736457
Name [?]:
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)Cc2cccc(c2)N
InChi [?]:
InChI=1/C15H22N2O2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,7,11,8,10,18,12,13,6,17,4,19,9,5,3/E:(6,7)(8,9)/rA:19nCCOCOCCCNCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16115 |
Area: | 473.001 |
Solvation: | -2.66389 |
Coulombic: | -40.2046 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.58 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|