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Chemical ID: 7455925

Chemical ID:

7455925

Name [?]:

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

SMILES [?]:

C[NH+]1CCN(CC1)C2CCN(CC2)CCCc3ccccc3

InChi [?]:

InChI=1/C19H31N3/c1-20-14-16-22(17-15-20)19-9-12-21(13-10-19)11-5-8-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3/p+1

InChi Info:

AuxInfo=1/1/N:1,20,19,21,15,18,22,16,9,13,14,10,12,3,7,4,6,17,8,2,11,5/E:(3,4)(6,7)(9,10)(12,13)(14,15)(16,17)/rA:22nCN+CCNCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₂N₃₊
All Atoms:	54
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	-18.8003
Area:	534.058
Solvation:	-32.1518
Coulombic:	17.5423

Bond Count [?]

All:	24
Single:	21
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	302.478
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.33
LogP (Chemaxon):	2.36

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value