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Chemical ID: 7134496

c1ccc(cc1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)Cc4ccncc4

Chemical ID:

7134496

Name [?]:

1-(1-benzyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-4-(4-pyridylmethyl)-2,3,5,6-tetrahydropyrazine

SMILES [?]:

c1ccc(cc1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)Cc4ccncc4

InChi [?]:

InChI=1/C22H30N4/c1-2-4-20(5-3-1)18-24-12-8-22(9-13-24)26-16-14-25(15-17-26)19-21-6-10-23-11-7-21/h1-7,10-11,22H,8-9,12-19H2/p+3

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,22,26,10,12,23,25,9,13,16,18,15,19,7,20,4,21,11,24,8,17,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:26nCCCCCCCN+CCCCCN+CCN+CCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₃N₄₊₃
All Atoms:	59
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	-178.236
Area:	581.844
Solvation:	-192.782
Coulombic:	200.357

Bond Count [?]

All:	29
Single:	23
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	353.524
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	2.27
LogP (Chemaxon):	2.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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