ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4661730

Chemical ID:

4661730

Name [?]:

4-(2,2,6,6-tetramethyl-4-piperidyl)morpholine

SMILES [?]:

CC1(CC(CC(N1)(C)C)N2CCOCC2)C

InChi [?]:

InChI=1/C13H26N2O/c1-12(2)9-11(10-13(3,4)14-12)15-5-7-16-8-6-15/h11,14H,5-10H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,16,8,9,11,15,12,14,3,5,4,2,6,7,10,13/E:(1,2,3,4)(5,6)(7,8)(9,10)(12,13)/rA:16nCCCCCCNCCNCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;s11;s12;s13;s10s14;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₆N₂O
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.73398
Area:	399.841
Solvation:	-2.26205
Coulombic:	-21.8618

Bond Count [?]

All:	17
Single:	17
Double:	0
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	226.358
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.57
LogP (Chemaxon):	0.41

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

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Chemical Mix	Source	External ID	Descriptor	Value