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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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).