(9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol

C9H18N2O — CID 167214378

IUPAC(9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol
SMILESCN1CCN2C(O)CCC[C@H]2C1
InChIInChI=1S/C9H18N2O/c1-10-5-6-11-8(7-10)3-2-4-9(11)12/h8-9,12H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyFDNCUVMZEZFRBC-IENPIDJESA-N
MW170.26 g/mol
LogP0.10
Rot. Bonds

About (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol

(9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol (PubChem CID 167214378) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol.

Molecular Properties

Compound Name(9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol
PubChem CID167214378
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol
SMILESCN1CCN2C(O)CCC[C@H]2C1
InChIInChI=1S/C9H18N2O/c1-10-5-6-11-8(7-10)3-2-4-9(11)12/h8-9,12H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyFDNCUVMZEZFRBC-IENPIDJESA-N
XLogP0.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol with MolForge

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Related Compounds

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 163491864
2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 130644992
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
2-(2,4-dimethylpiperazin-1-yl)cyclohexan-1-ol
CID 103857711
1-[(6R,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]but-2-yn-1-ol
CID 58812261
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
CID 158552360
[1-(1-methylpyrrolidin-3-yl)piperidin-2-yl]methanol
CID 83831558
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259
1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
2,3-dimethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 79396539
(4-methyl-1-piperidin-3-ylpiperazin-2-yl)methanol
CID 83821353

Frequently Asked Questions

What is the IUPAC name of (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol?
The IUPAC name of (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol (CID 167214378) is (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol.
What is the SMILES notation for (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol?
The canonical SMILES for (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol is CN1CCN2C(O)CCC[C@H]2C1.
What is the InChIKey of (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol?
The InChIKey is FDNCUVMZEZFRBC-IENPIDJESA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-5-6-11-8(7-10)3-2-4-9(11)12/h8-9,12H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol?
(9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol has a molecular weight of 170.26 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol is sourced from PubChem (CID 167214378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).