4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol

C15H21FN2O — CID 107721149

IUPAC4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol
SMILESCC(c1ccc(O)cc1F)N1CCN2CCCC2C1
InChIInChI=1S/C15H21FN2O/c1-11(14-5-4-13(19)9-15(14)16)18-8-7-17-6-2-3-12(17)10-18/h4-5,9,11-12,19H,2-3,6-8,10H2,1H3
InChIKeyUSKNFORUXLMGCZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.37
Rot. Bonds2

About 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol

4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol (PubChem CID 107721149) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol
PubChem CID107721149
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol
SMILESCC(c1ccc(O)cc1F)N1CCN2CCCC2C1
InChIInChI=1S/C15H21FN2O/c1-11(14-5-4-13(19)9-15(14)16)18-8-7-17-6-2-3-12(17)10-18/h4-5,9,11-12,19H,2-3,6-8,10H2,1H3
InChIKeyUSKNFORUXLMGCZ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-fluorophenol
CID 107720997
2-[1-(2-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986474
4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol
CID 107721132
3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol
CID 107721087
2-[1-(3-chlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940142
5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
CID 82961971
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-difluorophenyl)propan-1-one
CID 79929510
3-fluoro-4-[1-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenol
CID 107721024
2-[1-(3-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986500
1-[(3S)-1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]imidazolidin-2-one
CID 95590517
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)propan-2-amine
CID 79916473
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol (CID 107721149) is 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol is CC(c1ccc(O)cc1F)N1CCN2CCCC2C1.
What is the InChIKey of 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol?
The InChIKey is USKNFORUXLMGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(14-5-4-13(19)9-15(14)16)18-8-7-17-6-2-3-12(17)10-18/h4-5,9,11-12,19H,2-3,6-8,10H2,1H3.
What are the key properties of 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol?
4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol has a molecular weight of 264.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol is sourced from PubChem (CID 107721149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).