Chemical ID: 4331412

CC(C)CC(=O)N1CCN(CC1)Cc2ccccn2
Chemical ID:
4331412
Name [?]:
3-methyl-1-[4-(2-pyridylmethyl)piperazin-1-yl]-butan-1-one
SMILES [?]:
CC(C)CC(=O)N1CCN(CC1)Cc2ccccn2
InChi [?]:
InChI=1/C15H23N3O/c1-13(2)11-15(19)18-9-7-17(8-10-18)12-14-5-3-4-6-16-14/h3-6,13H,7-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,15,18,9,11,8,12,4,13,2,14,5,19,10,7,6/E:(1,2)(7,8)(9,10)/rA:19nCCCCCONCCNCCCCCCCCN/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.45536
Area:468.527
Solvation:-3.25782
Coulombic:-25.2043
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.363
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.37
LogP (Chemaxon):1.23

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Descriptor Annotations

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