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Chemical ID: 5077050
Chemical ID:
5077050
Name [?]:
3-[2-(1-phenethyl-4-piperidyl)ethyl]-1H-indole
SMILES [?]:
c1ccc(cc1)CCN2CCC(CC2)CCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C23H28N2/c1-2-6-19(7-3-1)12-15-25-16-13-20(14-17-25)10-11-21-18-24-23-9-5-4-8-22(21)23/h1-9,18,20,24H,10-17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,24,3,5,22,25,15,16,7,11,13,8,10,14,18,4,12,17,21,20,19,9/E:(2,3)(6,7)(13,14)(16,17)/rA:25nCCCCCCCCNCCCCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6278 |
Area: | 580.347 |
Solvation: | -1.88086 |
Coulombic: | -19.4299 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.482 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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