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Chemical ID: 5081205
Chemical ID:
5081205
Name [?]:
2-methyl-1-piperazin-1-yl-propan-2-ol
SMILES [?]:
CC(C)(CN1CCNCC1)O
InChi [?]:
InChI=1/C8H18N2O/c1-8(2,11)7-10-5-3-9-4-6-10/h9,11H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,9,6,10,4,2,8,5,11/E:(1,2)(3,4)(5,6)/rA:11nCCCCNCCNCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s2;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H18N2O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.83527 |
Area: | 318.977 |
Solvation: | -2.13916 |
Coulombic: | -29.7794 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 158.241 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.37 |
LogP (Chemaxon): | -0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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