2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol

C12H18N2O2 — CID 114799569

IUPAC2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccncc2CO)C1
InChIInChI=1S/C12H18N2O2/c15-6-3-10-2-5-14(8-10)12-1-4-13-7-11(12)9-16/h1,4,7,10,15-16H,2-3,5-6,8-9H2
InChIKeyGZFVTQQDTFKIII-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.78
Rot. Bonds4

About 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol

2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 114799569) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID114799569
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccncc2CO)C1
InChIInChI=1S/C12H18N2O2/c15-6-3-10-2-5-14(8-10)12-1-4-13-7-11(12)9-16/h1,4,7,10,15-16H,2-3,5-6,8-9H2
InChIKeyGZFVTQQDTFKIII-UHFFFAOYSA-N
XLogP0.78
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 115883813
[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 81237725
2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
CID 106948479
[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81236983
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethanol
CID 62358308
[4-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412368
[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 81237712
[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
CID 105066691
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81238726

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol (CID 114799569) is 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(c2ccncc2CO)C1.
What is the InChIKey of 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is GZFVTQQDTFKIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-6-3-10-2-5-14(8-10)12-1-4-13-7-11(12)9-16/h1,4,7,10,15-16H,2-3,5-6,8-9H2.
What are the key properties of 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol?
2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 222.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).