Chemical ID: 5317751

CN1CCN(CC1)C(=O)C2CCCN(C2)Cc3ccccc3
Chemical ID:
5317751
Name [?]:
(1-benzyl-3-piperidyl)-(4-methylpiperazin-1-yl)-methanone
SMILES [?]:
CN1CCN(CC1)C(=O)C2CCCN(C2)Cc3ccccc3
InChi [?]:
InChI=1/C18H27N3O/c1-19-10-12-21(13-11-19)18(22)17-8-5-9-20(15-17)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,12,18,22,11,13,3,7,4,6,16,15,17,10,8,2,14,5,9/E:(3,4)(6,7)(10,11)(12,13)/rA:22cCNCCNCCCOCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.72862
Area:508.886
Solvation:-2.99352
Coulombic:-26.6762
Bond Count [?]
All:24
Single:20
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.427
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.26
LogP (Chemaxon):1.56

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue