[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol

C12H18N2O2 — CID 102787683

IUPAC[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cnccc2CO)C1CO
InChIInChI=1S/C12H18N2O2/c1-9-3-5-14(12(9)8-16)11-6-13-4-2-10(11)7-15/h2,4,6,9,12,15-16H,3,5,7-8H2,1H3
InChIKeyPROMFZICZNHEEW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.78
Rot. Bonds3

About [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol

[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102787683) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102787683
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cnccc2CO)C1CO
InChIInChI=1S/C12H18N2O2/c1-9-3-5-14(12(9)8-16)11-6-13-4-2-10(11)7-15/h2,4,6,9,12,15-16H,3,5,7-8H2,1H3
InChIKeyPROMFZICZNHEEW-UHFFFAOYSA-N
XLogP0.78
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile
CID 102780843
[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105066909
[3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol
CID 105066979
[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 114054518
[1-[5-(hydroxymethyl)pyrazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 107372994
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
[4-[4-(hydroxymethyl)-3-pyridinyl]morpholin-3-yl]methanol
CID 105066985
[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methanol
CID 105066787
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridazine-4-carbothioamide
CID 102781157
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231

Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol (CID 102787683) is [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2cnccc2CO)C1CO.
What is the InChIKey of [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is PROMFZICZNHEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-3-5-14(12(9)8-16)11-6-13-4-2-10(11)7-15/h2,4,6,9,12,15-16H,3,5,7-8H2,1H3.
What are the key properties of [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102787683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).