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Chemical ID: 7512427

Chemical ID:

7512427

Name [?]:

ethyl 4-[(4-methoxycarbonylphenyl)methyl]piperazine-1-carboxylate

SMILES [?]:

CCOC(=O)N1CCN(CC1)Cc2ccc(cc2)C(=O)OC

InChi [?]:

InChI=1/C16H22N2O4/c1-3-22-16(20)18-10-8-17(9-11-18)12-13-4-6-14(7-5-13)15(19)21-2/h4-7H,3,8-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,2,14,18,15,17,8,10,7,11,12,13,16,19,4,9,6,20,5,21,3/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCOCONCCNCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₂N₂O₄
All Atoms:	44
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	10.1527
Area:	530.836
Solvation:	-3.11822
Coulombic:	-54.4778

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.74
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