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

C15H21FN2O — CID 79934838

IUPAC[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1N1CCN2CCCCC2C1
InChIInChI=1S/C15H21FN2O/c16-13-4-5-15(12(9-13)11-19)18-8-7-17-6-2-1-3-14(17)10-18/h4-5,9,14,19H,1-3,6-8,10-11H2
InChIKeyWMTVQMABSZCSHZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.99
Rot. Bonds2

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

[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol (PubChem CID 79934838) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
PubChem CID79934838
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1N1CCN2CCCCC2C1
InChIInChI=1S/C15H21FN2O/c16-13-4-5-15(12(9-13)11-19)18-8-7-17-6-2-1-3-14(17)10-18/h4-5,9,14,19H,1-3,6-8,10-11H2
InChIKeyWMTVQMABSZCSHZ-UHFFFAOYSA-N
XLogP1.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 79916053
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorobenzonitrile
CID 79025973
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitrophenyl]methanol
CID 79918815
2-(4-fluoro-2-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929014
1-[1-[2-(bromomethyl)-4-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 107083325
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-fluorobenzonitrile
CID 79025974
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
CID 61434288
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol
CID 79943710
2-(4-fluoro-2-methoxyphenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926321
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol
CID 105066917
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620

Frequently Asked Questions

What is the IUPAC name of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol?
The IUPAC name of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol (CID 79934838) is [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol is OCc1cc(F)ccc1N1CCN2CCCCC2C1.
What is the InChIKey of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol?
The InChIKey is WMTVQMABSZCSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-13-4-5-15(12(9-13)11-19)18-8-7-17-6-2-1-3-14(17)10-18/h4-5,9,14,19H,1-3,6-8,10-11H2.
What are the key properties of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol?
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol has a molecular weight of 264.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol is sourced from PubChem (CID 79934838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).