2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol

C17H21N3O2 — CID 97047985

IUPAC2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol
SMILESOCC[C@@H]1CCN(c2cncc(OCc3ccccc3)n2)C1
InChIInChI=1S/C17H21N3O2/c21-9-7-14-6-8-20(12-14)16-10-18-11-17(19-16)22-13-15-4-2-1-3-5-15/h1-5,10-11,14,21H,6-9,12-13H2/t14-/m0/s1
InChIKeyUGNNBURDGRAODS-AWEZNQCLSA-N
MW299.37 g/mol
LogP2.26
Rot. Bonds6

About 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol

2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 97047985) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID97047985
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol
SMILESOCC[C@@H]1CCN(c2cncc(OCc3ccccc3)n2)C1
InChIInChI=1S/C17H21N3O2/c21-9-7-14-6-8-20(12-14)16-10-18-11-17(19-16)22-13-15-4-2-1-3-5-15/h1-5,10-11,14,21H,6-9,12-13H2/t14-/m0/s1
InChIKeyUGNNBURDGRAODS-AWEZNQCLSA-N
XLogP2.26
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine
CID 75378157
N-methyl-1-(6-phenylmethoxypyrazin-2-yl)piperidine-3-carboxamide
CID 154750088
2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine
CID 71857386
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048524
1-[6-(2-hydroxyethoxy)pyrazin-2-yl]-3-methylpiperidin-4-ol
CID 133498606
2-ethoxy-6-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
CID 99802324
2-ethoxy-6-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]pyrazine
CID 102563969
2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114799563
2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114799174
2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796899
2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802916
N-[[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 97234608

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol (CID 97047985) is 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol is OCC[C@@H]1CCN(c2cncc(OCc3ccccc3)n2)C1.
What is the InChIKey of 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is UGNNBURDGRAODS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-9-7-14-6-8-20(12-14)16-10-18-11-17(19-16)22-13-15-4-2-1-3-5-15/h1-5,10-11,14,21H,6-9,12-13H2/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol?
2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 299.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 97047985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).