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

C13H27N3O — CID 113459495

IUPAC3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CCN2CCCCC2C1
InChIInChI=1S/C13H27N3O/c1-2-12(14)13(10-17)16-8-7-15-6-4-3-5-11(15)9-16/h11-13,17H,2-10,14H2,1H3
InChIKeyGEHNFCOGXBNXNT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.25
Rot. Bonds4

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

3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol (PubChem CID 113459495) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
PubChem CID113459495
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CCN2CCCCC2C1
InChIInChI=1S/C13H27N3O/c1-2-12(14)13(10-17)16-8-7-15-6-4-3-5-11(15)9-16/h11-13,17H,2-10,14H2,1H3
InChIKeyGEHNFCOGXBNXNT-UHFFFAOYSA-N
XLogP0.25
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357229
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-methylpentan-2-amine
CID 79935985
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 104840488
3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 104840510
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-aminopentan-1-ol
CID 104840500
3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine
CID 62368612
3-amino-2-(3-methoxypiperidin-1-yl)pentan-1-ol
CID 102965675
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
CID 79916470
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
CID 79931868
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79940321
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanethiol
CID 166817734

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol?
The IUPAC name of 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol (CID 113459495) is 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol?
The canonical SMILES for 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol is CCC(N)C(CO)N1CCN2CCCCC2C1.
What is the InChIKey of 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol?
The InChIKey is GEHNFCOGXBNXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-12(14)13(10-17)16-8-7-15-6-4-3-5-11(15)9-16/h11-13,17H,2-10,14H2,1H3.
What are the key properties of 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol?
3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol has a molecular weight of 241.38 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol is sourced from PubChem (CID 113459495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).