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Chemical ID: 7522304

Chemical ID:

7522304

Name [?]:

1-[2-[2-hydroxy-3-(1-piperidyl)propoxy]phenyl]ethanone

SMILES [?]:

CC(=O)c1ccccc1OCC(CN2CCCCC2)O

InChi [?]:

InChI=1/C16H23NO3/c1-13(18)15-7-3-4-8-16(15)20-12-14(19)11-17-9-5-2-6-10-17/h3-4,7-8,14,19H,2,5-6,9-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,17,6,7,16,18,5,8,15,19,13,11,2,12,4,9,14,3,20,10/E:(5,6)(9,10)/rA:20cCCOCCCCCCOCCCNCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s12;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₃NO₃
All Atoms:	43
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	5.40955
Area:	486.403
Solvation:	-6.75052
Coulombic:	-34.2811

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.82
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