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Chemical ID: 5647280

Chemical ID:

5647280

Name [?]:

1,4-bis(4-methylpiperazin-1-yl)butane-1,4-dione

SMILES [?]:

CN1CCN(CC1)C(=O)CCC(=O)N2CCN(CC2)C

InChi [?]:

InChI=1/C14H26N4O2/c1-15-5-9-17(10-6-15)13(19)3-4-14(20)18-11-7-16(2)8-12-18/h3-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,10,11,3,7,16,18,4,6,15,19,8,12,2,17,5,14,9,13/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCNCCNCCCOCCCONCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₆N₄O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.78022
Area:	489.727
Solvation:	-3.46296
Coulombic:	-39.0247

Bond Count [?]

All:	21
Single:	19
Double:	2
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	282.382
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	-1.56
LogP (Chemaxon):	-1.52

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value