ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7509044

Chemical ID:

7509044

Name [?]:

1-[(2,6-difluorophenyl)methyl]piperidin-4-ol

SMILES [?]:

c1cc(c(c(c1)F)CN2CCC(CC2)O)F

InChi [?]:

InChI=1/C12H15F2NO/c13-11-2-1-3-12(14)10(11)8-15-6-4-9(16)5-7-15/h1-3,9,16H,4-8H2

InChi Info:

AuxInfo=1/0/N:1,2,6,11,13,10,14,8,12,4,3,5,16,7,9,15/E:(2,3)(4,5)(6,7)(11,12)(13,14)/rA:16nCCCCCCFCNCCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s9s13;s12;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₅F₂NO
All Atoms:	31
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	5.68776
Area:	376.384
Solvation:	-3.72184
Coulombic:	-29.3056

Bond Count [?]

All:	17
Single:	14
Double:	3
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.93
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value