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Chemical ID: 5317751
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
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Experimental Annotations
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Descriptor Annotations
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