ChemDB: Chemical Search
Download
Chemical ID: 4980156
Chemical ID:
4980156
Name [?]:
1-(4-chlorophenyl)-2-(1-piperidyl)propan-1-one
SMILES [?]:
CC(C(=O)c1ccc(cc1)Cl)N2CCCCC2
InChi [?]:
InChI=1/C14H18ClNO/c1-11(16-9-3-2-4-10-16)14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,6,10,7,9,13,17,2,5,8,3,11,12,4/E:(3,4)(5,6)(7,8)(9,10)/rA:17cCCCOCCCCCCClNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s2;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18ClNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.48543 |
Area: | 434.901 |
Solvation: | -2.38708 |
Coulombic: | -14.7172 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.752 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.0 |
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 |
---|