Chemical ID: 5780051

c1ccc(cc1)C(CN2CCCCC2)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue