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Chemical ID: 7509231

Chemical ID:

7509231

Name [?]:

ethyl 1-(1-propyl-4-piperidyl)piperidine-4-carboxylate

SMILES [?]:

CCCN1CCC(CC1)N2CCC(CC2)C(=O)OCC

InChi [?]:

InChI=1/C16H30N2O2/c1-3-9-17-10-7-15(8-11-17)18-12-5-14(6-13-18)16(19)20-4-2/h14-15H,3-13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,2,19,12,14,6,8,3,5,9,11,15,13,7,16,4,10,17,18/E:(5,6)(7,8)(10,11)(12,13)/rA:20nCCCNCCCCCNCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₃₀N₂O₂
All Atoms:	50
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	10.1408
Area:	508.561
Solvation:	-2.57319
Coulombic:	-28.1206

Bond Count [?]

All:	21
Single:	20
Double:	1
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.9
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

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Chemical Mix	Source	External ID	Descriptor	Value