1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol

C13H20N2O2 — CID 103942856

IUPAC1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([C@@H](C)O)cn2)C1
InChIInChI=1S/C13H20N2O2/c1-9(16)11-3-4-13(14-7-11)15-6-5-12(8-15)10(2)17/h3-4,7,9-10,12,16-17H,5-6,8H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyTWVMZDFWZMABBO-GRZMOONWSA-N
MW236.32 g/mol
LogP1.34
Rot. Bonds3

About 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol

1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 103942856) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID103942856
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([C@@H](C)O)cn2)C1
InChIInChI=1S/C13H20N2O2/c1-9(16)11-3-4-13(14-7-11)15-6-5-12(8-15)10(2)17/h3-4,7,9-10,12,16-17H,5-6,8H2,1-2H3/t9-,10?,12?/m1/s1
InChIKeyTWVMZDFWZMABBO-GRZMOONWSA-N
XLogP1.34
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 103942856) is 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc([C@@H](C)O)cn2)C1.
What is the InChIKey of 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is TWVMZDFWZMABBO-GRZMOONWSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(16)11-3-4-13(14-7-11)15-6-5-12(8-15)10(2)17/h3-4,7,9-10,12,16-17H,5-6,8H2,1-2H3/t9-,10?,12?/m1/s1.
What are the key properties of 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol?
1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 236.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103942856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).