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Chemical ID: 4216423
Chemical ID:
4216423
Name [?]:
1-benzyloxy-3-(4-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CCN(CC1)CC(COCc2ccccc2)O
InChi [?]:
InChI=1/C16H25NO2/c1-14-7-9-17(10-8-14)11-16(18)13-19-12-15-5-3-2-4-6-15/h2-6,14,16,18H,7-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,7,4,6,8,12,10,2,13,9,5,19,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCCNCCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s9;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.30374 |
Area: | 491.956 |
Solvation: | -4.99516 |
Coulombic: | -30.503 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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