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Chemical ID: 5104808
Chemical ID:
5104808
Name [?]:
1-cyclopropyl-2-piperazin-1-yl-ethanol
SMILES [?]:
C1CC1C(CN2CCNCC2)O
InChi [?]:
InChI=1/C9H18N2O/c12-9(8-1-2-8)7-11-5-3-10-4-6-11/h8-10,12H,1-7H2
InChi Info:
AuxInfo=1/0/N:1,2,8,10,7,11,5,3,4,9,6,12/E:(1,2)(3,4)(5,6)/rA:12cCCCCCNCCNCCO/rB:s1;s1s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.05709 |
Area: | 345.137 |
Solvation: | -2.57132 |
Coulombic: | -29.7647 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 170.252 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.47 |
LogP (Chemaxon): | -0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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