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Chemical ID: 6322320
Chemical ID:
6322320
Name [?]:
(3,5-dimethyl-1-piperidyl)-phenyl-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)c2ccccc2)C
InChi [?]:
InChI=1/C14H19NO/c1-11-8-12(2)10-15(9-11)14(16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,13,12,14,11,15,3,7,5,2,4,10,8,6,9/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:16cCCCCCNCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.58936 |
Area: | 402.956 |
Solvation: | -1.48454 |
Coulombic: | -19.8919 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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