[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol

C11H16N2O — CID 13292843

IUPAC[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)[C@H]1c1cccnc1
InChIInChI=1S/C11H16N2O/c1-13-6-4-10(8-14)11(13)9-3-2-5-12-7-9/h2-3,5,7,10-11,14H,4,6,8H2,1H3/t10?,11-/m1/s1
InChIKeyJJGXQIZRJPRSOS-RRKGBCIJSA-N
MW192.26 g/mol
LogP1.07
Rot. Bonds2

About [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol

[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol (PubChem CID 13292843) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
PubChem CID13292843
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
SMILESCN1CCC(CO)[C@H]1c1cccnc1
InChIInChI=1S/C11H16N2O/c1-13-6-4-10(8-14)11(13)9-3-2-5-12-7-9/h2-3,5,7,10-11,14H,4,6,8H2,1H3/t10?,11-/m1/s1
InChIKeyJJGXQIZRJPRSOS-RRKGBCIJSA-N
XLogP1.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10330622
1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
CID 129004287
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
CID 167757288
[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 129007294
N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997727
(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
CID 67821180
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
CID 128968917
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 128998866
2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide
CID 128967466
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol (CID 13292843) is [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol is CN1CCC(CO)[C@H]1c1cccnc1.
What is the InChIKey of [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is JJGXQIZRJPRSOS-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-6-4-10(8-14)11(13)9-3-2-5-12-7-9/h2-3,5,7,10-11,14H,4,6,8H2,1H3/t10?,11-/m1/s1.
What are the key properties of [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol?
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 13292843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).