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Chemical ID: 6400115
Chemical ID:
6400115
Name [?]:
cyclopentyl-(3,5-dimethyl-1-piperidyl)-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)C2CCCC2)C
InChi [?]:
InChI=1/C13H23NO/c1-10-7-11(2)9-14(8-10)13(15)12-5-3-4-6-12/h10-12H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,12,13,11,14,3,7,5,2,4,10,8,6,9/E:(1,2)(3,4)(5,6)(8,9)(10,11)/rA:15cCCCCCNCCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;s10s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H23NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.35844 |
Area: | 392.763 |
Solvation: | -1.46064 |
Coulombic: | -17.4128 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.328 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.47 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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