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Chemical ID: 4090386
Chemical ID:
4090386
Name [?]:
1-phenoxy-3-(1-piperidyl)propan-2-ol
SMILES [?]:
c1ccc(cc1)OCC(CN2CCCCC2)O
InChi [?]:
InChI=1/C14H21NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h1,3-4,7-8,13,16H,2,5-6,9-12H2
InChi Info:
AuxInfo=1/0/N:1,14,2,6,13,15,3,5,12,16,10,8,9,4,11,17,7/E:(3,4)(5,6)(7,8)(9,10)/rA:17cCCCCCCOCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.54894 |
Area: | 439.647 |
Solvation: | -4.44224 |
Coulombic: | -29.4792 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.98 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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