Chemical ID: 7517303

CCN1CCN(CC1)CCCOc2ccc(cc2)C#N
Chemical ID:
7517303
Name [?]:
4-[3-(4-ethylpiperazin-1-yl)propoxy]benzonitrile
SMILES [?]:
CCN1CCN(CC1)CCCOc2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H23N3O/c1-2-18-9-11-19(12-10-18)8-3-13-20-16-6-4-15(14-17)5-7-16/h4-7H,2-3,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,15,17,14,18,9,4,8,5,7,11,19,16,13,20,3,6,12/E:(4,5)(6,7)(9,10)(11,12)/rA:20nCCNCCNCCCCCOCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23N3O
All Atoms:43
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:9.57783
Area:512.362
Solvation:-3.23121
Coulombic:-20.8022
Bond Count [?]
All:21
Single:17
Double:3
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.94
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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