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

C14H19FN2O — CID 79943710

IUPAC[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol
SMILESOCc1ccc(N2CCN3CCCC3C2)c(F)c1
InChIInChI=1S/C14H19FN2O/c15-13-8-11(10-18)3-4-14(13)17-7-6-16-5-1-2-12(16)9-17/h3-4,8,12,18H,1-2,5-7,9-10H2
InChIKeyUHYZXFCPRUKPMJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.60
Rot. Bonds2

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

[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol (PubChem CID 79943710) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol
PubChem CID79943710
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol
SMILESOCc1ccc(N2CCN3CCCC3C2)c(F)c1
InChIInChI=1S/C14H19FN2O/c15-13-8-11(10-18)3-4-14(13)17-7-6-16-5-1-2-12(16)9-17/h3-4,8,12,18H,1-2,5-7,9-10H2
InChIKeyUHYZXFCPRUKPMJ-UHFFFAOYSA-N
XLogP1.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-cyclopentylpiperazin-1-yl)-3-fluorophenyl]methanol
CID 62369446
[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
CID 43584730
1-[4-(chloromethyl)-2-fluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 63170129
1-[1-[4-(chloromethyl)-2-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 63170307
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-fluorophenyl]methanol
CID 43620551
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
CID 79934838
[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626287
2-(2-fluoro-4-nitrophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 47184706
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3-fluorophenyl]methanol
CID 79935876
[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol
CID 63170440
(1S)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-fluorophenyl]ethanol
CID 79934840
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-fluorobenzonitrile
CID 78955458

Frequently Asked Questions

What is the IUPAC name of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol (CID 79943710) is [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol is OCc1ccc(N2CCN3CCCC3C2)c(F)c1.
What is the InChIKey of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol?
The InChIKey is UHYZXFCPRUKPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-13-8-11(10-18)3-4-14(13)17-7-6-16-5-1-2-12(16)9-17/h3-4,8,12,18H,1-2,5-7,9-10H2.
What are the key properties of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol?
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol has a molecular weight of 250.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 79943710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).