[(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol

C15H22N2O — CID 118738656

IUPAC[(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol
SMILESCN1CCN2C[C@@H](CO)[C@H](c3ccccc3)[C@H]2C1
InChIInChI=1S/C15H22N2O/c1-16-7-8-17-9-13(11-18)15(14(17)10-16)12-5-3-2-4-6-12/h2-6,13-15,18H,7-11H2,1H3/t13-,14+,15-/m0/s1
InChIKeyUYUYDTNRPSSSIA-ZNMIVQPWSA-N
MW246.35 g/mol
LogP1.01
Rot. Bonds2

About [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol

[(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol (PubChem CID 118738656) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name[(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol
PubChem CID118738656
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol
SMILESCN1CCN2C[C@@H](CO)[C@H](c3ccccc3)[C@H]2C1
InChIInChI=1S/C15H22N2O/c1-16-7-8-17-9-13(11-18)15(14(17)10-16)12-5-3-2-4-6-12/h2-6,13-15,18H,7-11H2,1H3/t13-,14+,15-/m0/s1
InChIKeyUYUYDTNRPSSSIA-ZNMIVQPWSA-N
XLogP1.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol?
The IUPAC name of [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol (CID 118738656) is [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol.
What is the SMILES notation for [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol?
The canonical SMILES for [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol is CN1CCN2C[C@@H](CO)[C@H](c3ccccc3)[C@H]2C1.
What is the InChIKey of [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol?
The InChIKey is UYUYDTNRPSSSIA-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-7-8-17-9-13(11-18)15(14(17)10-16)12-5-3-2-4-6-12/h2-6,13-15,18H,7-11H2,1H3/t13-,14+,15-/m0/s1.
What are the key properties of [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol?
[(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S,8R,8aS)-2-methyl-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol is sourced from PubChem (CID 118738656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).