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Chemical ID: 6347765

Chemical ID:

6347765

Name [?]:

(4-benzyl-1-piperidyl)-pyrazin-2-yl-methanone

SMILES [?]:

c1ccc(cc1)CC2CCN(CC2)C(=O)c3cnccn3

InChi [?]:

InChI=1/C17H19N3O/c21-17(16-13-18-8-9-19-16)20-10-6-15(7-11-20)12-14-4-2-1-3-5-14/h1-5,8-9,13,15H,6-7,10-12H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,9,13,19,20,10,12,7,17,4,8,16,14,18,21,11,15/E:(2,3)(4,5)(6,7)(10,11)/rA:21nCCCCCCCCCCNCCCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.60763
Area:	476.958
Solvation:	-2.31632
Coulombic:	-29.8551

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	281.352
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.46
LogP (Chemaxon):	1.63

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