ChemDB: Chemical Search
Download
Chemical ID: 4963555
Chemical ID:
4963555
Name [?]:
ethyl 4-phenylpiperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1(CCNCC1)c2ccccc2
InChi [?]:
InChI=1/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,7,11,8,10,12,4,6,9,5,3/E:(4,5)(6,7)(8,9)(10,11)/rA:17nCCOCOCCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s6;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22092 |
Area: | 416.043 |
Solvation: | -2.18014 |
Coulombic: | -29.3226 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.1 |
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 |
---|