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Chemical ID: 5170244
Chemical ID:
5170244
Name [?]:
1-(4-fluorophenoxy)-3-(1-piperidyl)propan-2-ol
SMILES [?]:
c1cc(ccc1OCC(CN2CCCCC2)O)F
InChi [?]:
InChI=1/C14H20FNO2/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16/h4-7,13,17H,1-3,8-11H2
InChi Info:
AuxInfo=1/0/N:14,13,15,2,4,1,5,12,16,10,8,3,9,6,18,11,17,7/E:(2,3)(4,5)(6,7)(8,9)/rA:18cCCCCCCOCCCNCCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s9;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20FNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.84685 |
Area: | 446.69 |
Solvation: | -5.32039 |
Coulombic: | -32.0592 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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