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Chemical ID: 5081214
Chemical ID:
5081214
Name [?]:
2-methyl-1-(4-methylpiperazin-1-yl)-propan-2-ol
SMILES [?]:
CC(C)(CN1CCN(CC1)C)O
InChi [?]:
InChI=1/C9H20N2O/c1-9(2,12)8-11-6-4-10(3)5-7-11/h12H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,11,7,9,6,10,4,2,8,5,12/E:(1,2)(4,5)(6,7)/rA:12nCCCCNCCNCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s8;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H20N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.5009 |
Area: | 340.169 |
Solvation: | -2.00333 |
Coulombic: | -26.2775 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 172.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.13 |
LogP (Chemaxon): | 0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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