ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4815322

Chemical ID:

4815322

Name [?]:

4-(1-cyclopentyl-4-piperidyl)morpholine

SMILES [?]:

C1CCC(C1)N2CCC(CC2)N3CCOCC3

InChi [?]:

InChI=1/C14H26N2O/c1-2-4-13(3-1)15-7-5-14(6-8-15)16-9-11-17-12-10-16/h13-14H,1-12H2

InChi Info:

AuxInfo=1/0/N:1,2,5,3,8,10,7,11,13,17,14,16,4,9,6,12,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:17nCCCCCNCCCCCNCCOCC/rB:s1;s2;s3;s1s4;s4;s6;s7;s8;s9;s6s10;s9;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₆N₂O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.85539
Area:	418.63
Solvation:	-2.61035
Coulombic:	-18.0825

Bond Count [?]

All:	19
Single:	19
Double:	0
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	238.369
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	1.32
LogP (Chemaxon):	0.98

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