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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Related Compounds

1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626053
(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 114271915
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849
1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626663
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
(1R)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol
CID 104874708
(1S)-1-[6-(2-ethylthiomorpholin-4-yl)-3-pyridinyl]ethanol
CID 104874690
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951

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).