Chemical ID: 7517333

CCN1CCN(CC1)CCCOc2ccc(cc2)Cc3ccccc3
Chemical ID:
7517333
Name [?]:
1-[3-(4-benzylphenoxy)propyl]-4-ethyl-piperazine
SMILES [?]:
CCN1CCN(CC1)CCCOc2ccc(cc2)Cc3ccccc3
InChi [?]:
InChI=1/C22H30N2O/c1-2-23-14-16-24(17-15-23)13-6-18-25-22-11-9-21(10-12-22)19-20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,22,24,10,21,25,15,17,14,18,9,4,8,5,7,11,19,20,16,13,3,6,12/E:(4,5)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:25nCCNCCNCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O
All Atoms:55
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.7103
Area:598.18
Solvation:-3.2442
Coulombic:-19.8665
Bond Count [?]
All:27
Single:21
Double:6
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.18
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue