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Chemical ID: 4175940
Chemical ID:
4175940
Name [?]:
[1-[(2,4-dimethoxyphenyl)methyl]-2-piperidyl]methanol
SMILES [?]:
COc1ccc(c(c1)OC)CN2CCCCC2CO
InChi [?]:
InChI=1/C15H23NO3/c1-18-14-7-6-12(15(9-14)19-2)10-16-8-4-3-5-13(16)11-17/h6-7,9,13,17H,3-5,8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,14,16,5,4,13,8,11,18,6,17,3,7,12,19,2,9/rA:19cCOCCCCCCOCCNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;s12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.51185 |
Area: | 437.98 |
Solvation: | -4.43766 |
Coulombic: | -36.434 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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