Chemical ID: 4977843

c1ccc(cc1)CN2CCC(CC2)n3cccc3C=O
Chemical ID:
4977843
Name [?]:
1-(1-benzyl-4-piperidyl)pyrrole-2-carbaldehyde
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)n3cccc3C=O
InChi [?]:
InChI=1/C17H20N2O/c20-14-17-7-4-10-19(17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,3,5,17,10,12,15,9,13,7,19,4,11,18,8,14,20/E:(2,3)(5,6)(8,9)(11,12)/rA:20nCCCCCCCNCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;s14d17;s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.91907
Area:474.283
Solvation:-2.93799
Coulombic:-19.8622
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.354
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.94
LogP (Chemaxon):2.49

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