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

C15H28N2O — CID 79924521

IUPAC2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol
SMILESCC1CN2CCCCC2CN1CC1CCCC1O
InChIInChI=1S/C15H28N2O/c1-12-9-16-8-3-2-6-14(16)11-17(12)10-13-5-4-7-15(13)18/h12-15,18H,2-11H2,1H3
InChIKeyBHGJPEUXWZWYEG-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.71
Rot. Bonds2

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

2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol (PubChem CID 79924521) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol
PubChem CID79924521
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol
SMILESCC1CN2CCCCC2CN1CC1CCCC1O
InChIInChI=1S/C15H28N2O/c1-12-9-16-8-3-2-6-14(16)11-17(12)10-13-5-4-7-15(13)18/h12-15,18H,2-11H2,1H3
InChIKeyBHGJPEUXWZWYEG-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cycloheptan-1-ol
CID 79924878
3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 107420844
N-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-amine
CID 79946088
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)cyclopentan-1-ol
CID 79925411
N-ethyl-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxolan-3-amine
CID 79934970
2-[(2-methylazetidin-1-yl)methyl]cyclopentan-1-ol
CID 104550145
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclohexyl]methanamine
CID 79935142
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
3-methyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102819614
2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926023
3-methyl-2-[(3-methylpyrrolidin-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102776119
2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 63169189

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol (CID 79924521) is 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol is CC1CN2CCCCC2CN1CC1CCCC1O.
What is the InChIKey of 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol?
The InChIKey is BHGJPEUXWZWYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-9-16-8-3-2-6-14(16)11-17(12)10-13-5-4-7-15(13)18/h12-15,18H,2-11H2,1H3.
What are the key properties of 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol?
2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 79924521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).