Chemical ID: 6458958

c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3
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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