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Chemical ID: 5104812
Chemical ID:
5104812
Name [?]:
3,3-dimethyl-1-piperazin-1-yl-butan-2-ol
SMILES [?]:
CC(C)(C)C(CN1CCNCC1)O
InChi [?]:
InChI=1/C10H22N2O/c1-10(2,3)9(13)8-12-6-4-11-5-7-12/h9,11,13H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,11,8,12,6,5,2,10,7,13/E:(1,2,3)(4,5)(6,7)/rA:13cCCCCCCNCCNCCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;s7s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H22N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.58336 |
Area: | 363.812 |
Solvation: | -2.51195 |
Coulombic: | -30.4854 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 186.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.27 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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