ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7512675

Chemical ID:

7512675

Name [?]:

ethyl 4-(2-methylcyclohexyl)aminopiperidine-1-carboxylate

SMILES [?]:

CCOC(=O)N1CCC(CC1)NC2CCCCC2C

InChi [?]:

InChI=1/C15H28N2O2/c1-3-19-15(18)17-10-8-13(9-11-17)16-14-7-5-4-6-12(14)2/h12-14,16H,3-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,2,16,15,17,14,8,10,7,11,18,9,13,4,12,6,5,3/E:(8,9)(10,11)/rA:19cCCOCONCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;s13;s14;s15;s16;s13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₈N₂O₂
All Atoms:	47
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	10.2576
Area:	478.635
Solvation:	-1.70825
Coulombic:	-38.8931

Bond Count [?]

All:	20
Single:	19
Double:	1
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.73
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