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Chemical ID: 7449625

Chemical ID:

7449625

Name [?]:

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

SMILES [?]:

C[NH+]1CCN(CC1)C2CCN(CC2)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C17H26FN3/c1-19-10-12-21(13-11-19)17-6-8-20(9-7-17)14-15-2-4-16(18)5-3-15/h2-5,17H,6-14H2,1H3/p+1

InChi Info:

AuxInfo=1/1/N:1,16,20,17,19,9,13,10,12,3,7,4,6,14,15,18,8,21,2,11,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:21nCN+CCNCCCCCNCCCCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₇FN₃₊
All Atoms:	48
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	-21.2826
Area:	482.968
Solvation:	-33.3568
Coulombic:	15.1913

Bond Count [?]

All:	23
Single:	20
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	292.415
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.97
LogP (Chemaxon):	1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value