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Chemical ID: 4177779
Chemical ID:
4177779
Name [?]:
1-[(2-methoxyphenyl)methyl]-4-(1-piperidyl)piperidine
SMILES [?]:
COc1ccccc1CN2CCC(CC2)N3CCCCC3
InChi [?]:
InChI=1/C18H28N2O/c1-21-18-8-4-3-7-16(18)15-19-13-9-17(10-14-19)20-11-5-2-6-12-20/h3-4,7-8,17H,2,5-6,9-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,6,5,18,20,7,4,12,14,17,21,11,15,9,8,13,3,10,16,2/E:(5,6)(9,10)(11,12)(13,14)/rA:21nCOCCCCCCCNCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89642 |
Area: | 489.984 |
Solvation: | -3.35319 |
Coulombic: | -17.5777 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 288.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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