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Chemical ID: 5780051
Chemical ID:
5780051
Name [?]:
1-phenyl-2-(1-piperidyl)ethanol
SMILES [?]:
c1ccc(cc1)C(CN2CCCCC2)O
InChi [?]:
InChI=1/C13H19NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChi Info:
AuxInfo=1/0/N:1,12,2,6,11,13,3,5,10,14,8,4,7,9,15/E:(3,4)(5,6)(7,8)(9,10)/rA:15cCCCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.33282 |
Area: | 393.989 |
Solvation: | -2.51691 |
Coulombic: | -23.4854 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.03 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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