[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol

C15H22BrN3O — CID 79935278

IUPAC[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
SMILESCC1CN2CCCCC2CN1c1ncc(Br)cc1CO
InChIInChI=1S/C15H22BrN3O/c1-11-8-18-5-3-2-4-14(18)9-19(11)15-12(10-20)6-13(16)7-17-15/h6-7,11,14,20H,2-5,8-10H2,1H3
InChIKeyDVOOZBZECODDTI-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.40
Rot. Bonds2

About [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol

[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol (PubChem CID 79935278) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
PubChem CID79935278
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
SMILESCC1CN2CCCCC2CN1c1ncc(Br)cc1CO
InChIInChI=1S/C15H22BrN3O/c1-11-8-18-5-3-2-4-14(18)9-19(11)15-12(10-20)6-13(16)7-17-15/h6-7,11,14,20H,2-5,8-10H2,1H3
InChIKeyDVOOZBZECODDTI-UHFFFAOYSA-N
XLogP2.40
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol with MolForge

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Related Compounds

[5-methyl-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
CID 80628200
2-(5-bromo-3-pyridinyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104531854
[5-chloro-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanamine
CID 79924881
2-[3-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935024
[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62299979
[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methanol
CID 79935691
2-(3-chloropyrazin-2-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925406
5-methyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940906
[2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanol
CID 79943471
2-(4-bromo-2-ethylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 81289207
1-[4-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79921173
[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol
CID 103501414

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol (CID 79935278) is [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol is CC1CN2CCCCC2CN1c1ncc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol?
The InChIKey is DVOOZBZECODDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11-8-18-5-3-2-4-14(18)9-19(11)15-12(10-20)6-13(16)7-17-15/h6-7,11,14,20H,2-5,8-10H2,1H3.
What are the key properties of [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol?
[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol has a molecular weight of 340.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 79935278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).