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Chemical ID: 4350195

Chemical ID:

4350195

Name [?]:

1-(4-methyl-1-piperidyl)-2-[4-(p-tolyl)phenoxy]-ethanone

SMILES [?]:

Cc1ccc(cc1)c2ccc(cc2)OCC(=O)N3CCC(CC3)C

InChi [?]:

InChI=1/C21H25NO2/c1-16-3-5-18(6-4-16)19-7-9-20(10-8-19)24-15-21(23)22-13-11-17(2)12-14-22/h3-10,17H,11-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,3,7,4,6,9,13,10,12,20,22,19,23,15,2,21,5,8,11,16,18,17,14/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCCCCCCCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.83904
Area:	555.443
Solvation:	-4.04704
Coulombic:	-25.9896

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.429
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.0
LogP (Chemaxon):	4.17

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