1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol

C13H20N2O2 — CID 102782297

IUPAC1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCC(C)C2CO)nc1
InChIInChI=1S/C13H20N2O2/c1-9-5-6-15(12(9)8-16)13-4-3-11(7-14-13)10(2)17/h3-4,7,9-10,12,16-17H,5-6,8H2,1-2H3
InChIKeyJOTKBRBTGMNWSN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.34
Rot. Bonds3

About 1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol

1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol (PubChem CID 102782297) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
PubChem CID102782297
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(N2CCC(C)C2CO)nc1
InChIInChI=1S/C13H20N2O2/c1-9-5-6-15(12(9)8-16)13-4-3-11(7-14-13)10(2)17/h3-4,7,9-10,12,16-17H,5-6,8H2,1-2H3
InChIKeyJOTKBRBTGMNWSN-UHFFFAOYSA-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 ≤ 500236.31
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-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol (CID 102782297) is 1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol is CC(O)c1ccc(N2CCC(C)C2CO)nc1.
What is the InChIKey of 1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol?
The InChIKey is JOTKBRBTGMNWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-6-15(12(9)8-16)13-4-3-11(7-14-13)10(2)17/h3-4,7,9-10,12,16-17H,5-6,8H2,1-2H3.
What are the key properties of 1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol?
1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol has a molecular weight of 236.31 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-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 102782297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).