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Chemical ID: 4221064
Chemical ID:
4221064
Name [?]:
4-(1-benzyl-4-piperidyl)morpholine
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)N3CCOCC3
InChi [?]:
InChI=1/C16H24N2O/c1-2-4-15(5-3-1)14-17-8-6-16(7-9-17)18-10-12-19-13-11-18/h1-5,16H,6-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,12,9,13,15,19,16,18,7,4,11,8,14,17/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:19nCCCCCCCNCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28477 |
Area: | 454.524 |
Solvation: | -3.07832 |
Coulombic: | -19.2134 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.77 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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