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Chemical ID: 5237176
Chemical ID:
5237176
Name [?]:
2-(1-methyl-2-piperidyl)-1-phenyl-ethanol
SMILES [?]:
CN1CCCCC1CC(c2ccccc2)O
InChi [?]:
InChI=1/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,5,4,11,15,6,3,8,10,7,9,2,16/E:(3,4)(7,8)/rA:16cCNCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.87882 |
Area: | 406.486 |
Solvation: | -2.28332 |
Coulombic: | -23.7765 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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