Chemical ID: 7087009

C=CCN1CCN(CC1)C(=O)CCN
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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Descriptor Annotations

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