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Chemical ID: 7459142

Chemical ID:

7459142

Name [?]:

1-methyl-4-[1-(2-pyridylmethyl)-4-piperidyl]-2,3,5,6-tetrahydropyrazine

SMILES [?]:

C[NH+]1CCN(CC1)C2CCN(CC2)Cc3ccccn3

InChi [?]:

InChI=1/C16H26N4/c1-18-10-12-20(13-11-18)16-5-8-19(9-6-16)14-15-4-2-3-7-17-15/h2-4,7,16H,5-6,8-14H2,1H3/p+1

InChi Info:

AuxInfo=1/1/N:1,17,18,16,9,13,19,10,12,3,7,4,6,14,15,8,20,2,11,5/E:(5,6)(8,9)(10,11)(12,13)/rA:20nCN+CCNCCCCCNCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₇N₄₊
All Atoms:	47
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.4055
Area:	474.295
Solvation:	-32.2628
Coulombic:	14.3473

Bond Count [?]

All:	22
Single:	19
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	275.413
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	0.65
LogP (Chemaxon):	0.55

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