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Chemical ID: 4262178
Chemical ID:
4262178
Name [?]:
4-ethyl-1,2,5-trimethyl-piperidin-4-ol
SMILES [?]:
CCC1(CC(N(CC1C)C)C)O
InChi [?]:
InChI=1/C10H21NO/c1-5-10(12)6-9(3)11(4)7-8(10)2/h8-9,12H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,11,10,2,4,7,8,5,3,6,12/rA:12cCCCCCNCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s6;s5;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.45052 |
Area: | 321.116 |
Solvation: | -1.57737 |
Coulombic: | -22.4829 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 171.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.43 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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