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Chemical ID: 3959503
Chemical ID:
3959503
Name [?]:
2-(3-dimethylaminopropylamino)-1-(1-piperidyl)ethanone
SMILES [?]:
CN(C)CCCNCC(=O)N1CCCCC1
InChi [?]:
InChI=1/C12H25N3O/c1-14(2)8-6-7-13-11-12(16)15-9-4-3-5-10-15/h13H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,13,15,5,6,4,12,16,8,9,7,2,11,10/E:(1,2)(4,5)(9,10)/rA:16nCNCCCCNCCONCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25N3O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21985 |
Area: | 449.98 |
Solvation: | -3.02965 |
Coulombic: | -29.0325 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 227.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.21 |
LogP (Chemaxon): | -0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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