(1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol

C16H19FN2O — CID 95298506

IUPAC(1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol
SMILESC[C@@H]1c2cccn2CCN1C[C@H](O)c1ccccc1F
InChIInChI=1S/C16H19FN2O/c1-12-15-7-4-8-18(15)9-10-19(12)11-16(20)13-5-2-3-6-14(13)17/h2-8,12,16,20H,9-11H2,1H3/t12-,16+/m1/s1
InChIKeyKVYPFDJVFYUQRY-WBMJQRKESA-N
MW274.34 g/mol
LogP2.74
Rot. Bonds3

About (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol

(1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol (PubChem CID 95298506) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol
PubChem CID95298506
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol
SMILESC[C@@H]1c2cccn2CCN1C[C@H](O)c1ccccc1F
InChIInChI=1S/C16H19FN2O/c1-12-15-7-4-8-18(15)9-10-19(12)11-16(20)13-5-2-3-6-14(13)17/h2-8,12,16,20H,9-11H2,1H3/t12-,16+/m1/s1
InChIKeyKVYPFDJVFYUQRY-WBMJQRKESA-N
XLogP2.74
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol (CID 95298506) is (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol is C[C@@H]1c2cccn2CCN1C[C@H](O)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol?
The InChIKey is KVYPFDJVFYUQRY-WBMJQRKESA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12-15-7-4-8-18(15)9-10-19(12)11-16(20)13-5-2-3-6-14(13)17/h2-8,12,16,20H,9-11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol?
(1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol has a molecular weight of 274.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 95298506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).