1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol

C12H18N2O2 — CID 103356760

IUPAC1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
SMILESCc1cc(CO)cnc1N1CCC(C)(O)C1
InChIInChI=1S/C12H18N2O2/c1-9-5-10(7-15)6-13-11(9)14-4-3-12(2,16)8-14/h5-6,15-16H,3-4,7-8H2,1-2H3
InChIKeyGIMAKHZERDGMSQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds2

About 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol

1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol (PubChem CID 103356760) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
PubChem CID103356760
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
SMILESCc1cc(CO)cnc1N1CCC(C)(O)C1
InChIInChI=1S/C12H18N2O2/c1-9-5-10(7-15)6-13-11(9)14-4-3-12(2,16)8-14/h5-6,15-16H,3-4,7-8H2,1-2H3
InChIKeyGIMAKHZERDGMSQ-UHFFFAOYSA-N
XLogP0.84
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628816
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
[6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628068
4-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]piperazine-2,6-dione
CID 80629400
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279
(3R)-3-methyl-1-(5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126704475
[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628617
[5-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 80628715
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
[5-methyl-6-(3-propylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 113418057
[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-5-methyl-3-pyridinyl]methanol
CID 114411439

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol (CID 103356760) is 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol is Cc1cc(CO)cnc1N1CCC(C)(O)C1.
What is the InChIKey of 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The InChIKey is GIMAKHZERDGMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-10(7-15)6-13-11(9)14-4-3-12(2,16)8-14/h5-6,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol?
1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103356760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).