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Chemical ID: 6458958
Chemical ID:
6458958
Name [?]:
2-[2-(4-phenyl-1-piperidyl)ethyl]-1H-indole
SMILES [?]:
c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3
InChi [?]:
InChI=1/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,20,3,5,18,21,8,12,14,9,11,13,16,4,7,17,15,22,23,10/E:(2,3)(6,7)(10,11)(13,14)/rA:23nCCCCCCCCCNCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4755 |
Area: | 529.502 |
Solvation: | -1.76205 |
Coulombic: | -18.8604 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.429 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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