Chemical ID: 5809819

CC1CN(CC(C1(C#C)O)C)C
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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