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Chemical ID: 5809819
Chemical ID:
5809819
Name [?]:
4-ethynyl-1,3,5-trimethyl-piperidin-4-ol
SMILES [?]:
CC1CN(CC(C1(C#C)O)C)C
InChi [?]:
InChI=1/C10H17NO/c1-5-10(12)8(2)6-11(4)7-9(10)3/h1,8-9,12H,6-7H2,2-4H3
InChi Info:
AuxInfo=1/0/N:9,1,11,12,8,3,5,2,6,7,4,10/E:(2,3)(6,7)(8,9)/rA:12cCCCNCCCCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s7;t8;s7;s6;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.48779 |
Area: | 331.739 |
Solvation: | -1.8057 |
Coulombic: | -25.2558 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 167.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.51 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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