(3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C11H16N2O2 — CID 162668021

IUPAC(3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESOC[C@H]1CN(Cc2ccncc2)C[C@@H]1O
InChIInChI=1S/C11H16N2O2/c14-8-10-6-13(7-11(10)15)5-9-1-3-12-4-2-9/h1-4,10-11,14-15H,5-8H2/t10-,11+/m1/s1
InChIKeyGLPFVPJRKRIPMG-MNOVXSKESA-N
MW208.26 g/mol
LogP-0.13
Rot. Bonds3

About (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 162668021) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID162668021
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESOC[C@H]1CN(Cc2ccncc2)C[C@@H]1O
InChIInChI=1S/C11H16N2O2/c14-8-10-6-13(7-11(10)15)5-9-1-3-12-4-2-9/h1-4,10-11,14-15H,5-8H2/t10-,11+/m1/s1
InChIKeyGLPFVPJRKRIPMG-MNOVXSKESA-N
XLogP-0.13
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyridinepropanol
CID 72923
3-(((Pyridin-4-yl)methyl)amino)propan-1-ol
CID 248486
(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960091
[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960092
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
2-[1-Isopropyl-4-(4-pyridinylmethyl)-2-piperazinyl]ethanol
CID 16187304
2-[1-Cyclopentyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 16191614
(3R,4R)-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 162646729
(3R,4R)-4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 162649928
ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 67218602
2-(2-Pyridin-4-yl-ethylamino)-ethanol
CID 564407

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 162668021) is (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol is OC[C@H]1CN(Cc2ccncc2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is GLPFVPJRKRIPMG-MNOVXSKESA-N. The full InChI is InChI=1S/C11H16N2O2/c14-8-10-6-13(7-11(10)15)5-9-1-3-12-4-2-9/h1-4,10-11,14-15H,5-8H2/t10-,11+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 208.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 162668021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).