Chemical ID: 7459314

C[NH+]1CCN(CC1)C2CCN(CC2)Cc3ccc4c(c3)OCO4
Chemical ID:
7459314
Name [?]:
1-[1-(benzo[1,3]dioxol-5-ylmethyl)-4-piperidyl]-4-methyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
C[NH+]1CCN(CC1)C2CCN(CC2)Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C18H27N3O2/c1-19-8-10-21(11-9-19)16-4-6-20(7-5-16)13-15-2-3-17-18(12-15)23-14-22-17/h2-3,12,16H,4-11,13-14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,16,17,9,13,10,12,3,7,4,6,20,14,22,15,8,18,19,2,11,5,23,21/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCN+CCNCCCCCNCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s19;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N3O2+
All Atoms:51
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-21.0342
Area:516.387
Solvation:-33.9439
Coulombic:3.20261
Bond Count [?]
All:26
Single:23
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:318.434
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.57
LogP (Chemaxon):1.4

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Descriptor Annotations

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