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Chemical ID: 7517333
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
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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