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

C13H20N2O — CID 102788197

IUPAC[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCc2ccccn2)C1CO
InChIInChI=1S/C13H20N2O/c1-11-5-8-15(13(11)10-16)9-6-12-4-2-3-7-14-12/h2-4,7,11,13,16H,5-6,8-10H2,1H3
InChIKeyXYNAGGLLNCQQPK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.33
Rot. Bonds4

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

[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol (PubChem CID 102788197) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
PubChem CID102788197
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCc2ccccn2)C1CO
InChIInChI=1S/C13H20N2O/c1-11-5-8-15(13(11)10-16)9-6-12-4-2-3-7-14-12/h2-4,7,11,13,16H,5-6,8-10H2,1H3
InChIKeyXYNAGGLLNCQQPK-UHFFFAOYSA-N
XLogP1.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
2-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339128
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 114198575
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]propan-1-ol
CID 111333426
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
1,7,9-trimethyl-3,5,12-tris(2-pyridin-2-ylethyl)-3,5,12-triazatetracyclo[5.3.1.12,6.04,9]dodecane
CID 10530041

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol (CID 102788197) is [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol is CC1CCN(CCc2ccccn2)C1CO.
What is the InChIKey of [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is XYNAGGLLNCQQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-5-8-15(13(11)10-16)9-6-12-4-2-3-7-14-12/h2-4,7,11,13,16H,5-6,8-10H2,1H3.
What are the key properties of [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).