ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 5051293

Chemical ID:

5051293

Name [?]:

2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine

SMILES [?]:

c1ccc(cc1)C2(OCC(O2)C3CCCCN3)c4ccccc4

InChi [?]:

InChI=1/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2

InChi Info:

AuxInfo=1/0/N:1,21,2,6,20,22,14,15,3,5,19,23,13,16,9,4,18,12,10,7,17,8,11/E:(1,2)(3,4,5,6)(9,10,11,12)(16,17)/rA:23cCCCCCCCOCCOCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;s10;s12;s13;s14;s15;s12s16;s7;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	2

ZAP Information [?]

Total:	9.63293
Area:	498.229
Solvation:	-2.82279
Coulombic:	-31.9662

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	309.402
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.68
LogP (Chemaxon):	4.62

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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