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Chemical ID: 7087009
Chemical ID:
7087009
Name [?]:
1-(4-allylpiperazin-1-yl)-3-amino-propan-1-one
SMILES [?]:
C=CCN1CCN(CC1)C(=O)CCN
InChi [?]:
InChI=1/C10H19N3O/c1-2-5-12-6-8-13(9-7-12)10(14)3-4-11/h2H,1,3-9,11H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,3,5,9,6,8,10,14,4,7,11/E:(6,7)(8,9)/rA:14nCCCNCCNCCCOCCN/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19N3O |
All Atoms: | 33 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42521 |
Area: | 394.242 |
Solvation: | -2.43083 |
Coulombic: | -33.3393 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.277 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.84 |
LogP (Chemaxon): | -0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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