2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol

C9H18N2O — CID 84653848

IUPAC2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
SMILESOCC1CNCC2CCCCN12
InChIInChI=1S/C9H18N2O/c12-7-9-6-10-5-8-3-1-2-4-11(8)9/h8-10,12H,1-7H2
InChIKeyFWURCNNGQIEPBM-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds1

About 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol

2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol (PubChem CID 84653848) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
PubChem CID84653848
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
SMILESOCC1CNCC2CCCCN12
InChIInChI=1S/C9H18N2O/c12-7-9-6-10-5-8-3-1-2-4-11(8)9/h8-10,12H,1-7H2
InChIKeyFWURCNNGQIEPBM-UHFFFAOYSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol with MolForge

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Related Compounds

1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol
CID 59215878
[(6S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-6-yl]methanol
CID 131114768
(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol
CID 130906068
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
(4-methyl-1-piperidin-3-ylpiperazin-2-yl)methanol
CID 83821353
[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
CID 84668410
2-[1-(azepan-4-yl)piperidin-2-yl]ethanol
CID 103983135
4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 82407469
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
[1-(oxetan-3-yl)piperazin-2-yl]methanol
CID 141386363
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol (CID 84653848) is 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol is OCC1CNCC2CCCCN12.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol?
The InChIKey is FWURCNNGQIEPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c12-7-9-6-10-5-8-3-1-2-4-11(8)9/h8-10,12H,1-7H2.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol?
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol has a molecular weight of 170.26 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol is sourced from PubChem (CID 84653848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).