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Chemical ID: 5568247
Chemical ID:
5568247
Name [?]:
2-amino-1-(4-methylpiperazin-1-yl)-3-phenyl-propan-1-one
SMILES [?]:
CN1CCN(CC1)C(=O)C(Cc2ccccc2)N
InChi [?]:
InChI=1/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,3,7,4,6,11,12,10,8,18,2,5,9/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCNCCNCCCOCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.10149 |
Area: | 435.445 |
Solvation: | -2.78463 |
Coulombic: | -34.3547 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.36 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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