Chemical ID: 5077050

c1ccc(cc1)CCN2CCC(CC2)CCc3c[nH]c4c3cccc4
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

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Descriptor Annotations

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