2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol

C13H20N2O — CID 115647965

IUPAC2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCc2cccnc2)C1
InChIInChI=1S/C13H20N2O/c16-9-5-13-4-8-15(11-13)7-3-12-2-1-6-14-10-12/h1-2,6,10,13,16H,3-5,7-9,11H2
InChIKeyIHCRZEHVOIIBHZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.33
Rot. Bonds5

About 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol

2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol (PubChem CID 115647965) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
PubChem CID115647965
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCc2cccnc2)C1
InChIInChI=1S/C13H20N2O/c16-9-5-13-4-8-15(11-13)7-3-12-2-1-6-14-10-12/h1-2,6,10,13,16H,3-5,7-9,11H2
InChIKeyIHCRZEHVOIIBHZ-UHFFFAOYSA-N
XLogP1.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 172881578
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
CID 63849817
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
formic acid;methyl 5-[[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylate
CID 172896748
2-fluoro-5-[[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]methyl]benzoic acid;formic acid
CID 171710037

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol (CID 115647965) is 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CCc2cccnc2)C1.
What is the InChIKey of 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is IHCRZEHVOIIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-9-5-13-4-8-15(11-13)7-3-12-2-1-6-14-10-12/h1-2,6,10,13,16H,3-5,7-9,11H2.
What are the key properties of 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115647965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).