(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride

C8H18Cl2N2 — CID 71742135

IUPAC(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride
SMILESC1CCN2CCNC[C@@H]2C1.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-2-5-10-6-4-9-7-8(10)3-1;;/h8-9H,1-7H2;2*1H/t8-;;/m0../s1
InChIKeyQZVLTIYFENRBIK-JZGIKJSDSA-N
MW213.15 g/mol
LogP1.29
Rot. Bonds

About (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride

(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride (PubChem CID 71742135) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride
PubChem CID71742135
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride
SMILESC1CCN2CCNC[C@@H]2C1.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-2-5-10-6-4-9-7-8(10)3-1;;/h8-9H,1-7H2;2*1H/t8-;;/m0../s1
InChIKeyQZVLTIYFENRBIK-JZGIKJSDSA-N
XLogP1.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride with MolForge

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Related Compounds

1-(2-Piperidinylmethyl)piperidine
CID 254290
(+-)-1,4-Diazabicyclo[4.4.0]decane
CID 2876391
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CID 45099409
rel-(4aR,8aR)-Decahydro-1,5-naphthyridine
CID 11083982
octahydro-1H-quinolizin-1-amine
CID 13549975
rac-(4aR,8aR)-decahydroquinoxaline
CID 28409949
(9aS)-Octahydro-2H-pyrido[1,2-a]pyrazine
CID 773776
1-[(1-Methylpiperidin-2-yl)methyl]piperazine
CID 4914648
octahydro-1H-pyrido(1,2-a)piperazine dihydrochloride
CID 42952164
1-(Piperidin-4-yl)-4-propylpiperazine trihydrochloride
CID 67163786
1-(1-Methylpiperidin-4-yl)piperazine;trihydrochloride
CID 71742137
1-Methyl-4-(piperidin-3-yl)piperazine trihydrochloride
CID 131729826

Frequently Asked Questions

What is the IUPAC name of (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride?
The IUPAC name of (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride (CID 71742135) is (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride.
What is the SMILES notation for (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride?
The canonical SMILES for (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride is C1CCN2CCNC[C@@H]2C1.Cl.Cl.
What is the InChIKey of (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride?
The InChIKey is QZVLTIYFENRBIK-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-2-5-10-6-4-9-7-8(10)3-1;;/h8-9H,1-7H2;2*1H/t8-;;/m0../s1.
What are the key properties of (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride?
(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride is sourced from PubChem (CID 71742135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).