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Chemical ID: 5153035
Chemical ID:
5153035
Name [?]:
1-(1-benzyl-4-piperidyl)ethanol
SMILES [?]:
CC(C1CCN(CC1)Cc2ccccc2)O
InChi [?]:
InChI=1/C14H21NO/c1-12(16)14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,4,8,5,7,9,2,10,3,6,16/E:(3,4)(5,6)(7,8)(9,10)/rA:16cCCCCCNCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;d11;s12;d13;d10s14;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.77075 |
Area: | 408.679 |
Solvation: | -2.44623 |
Coulombic: | -23.3289 |
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: | 2.26 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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