[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol

C10H14N2O — CID 129367724

IUPAC[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ccncc2)C1
InChIInChI=1S/C10H14N2O/c13-8-9-3-6-12(7-9)10-1-4-11-5-2-10/h1-2,4-5,9,13H,3,6-8H2/t9-/m0/s1
InChIKeyZZFSRQSOJHHRNC-VIFPVBQESA-N
MW178.24 g/mol
LogP0.90
Rot. Bonds2

About [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol

[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol (PubChem CID 129367724) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
PubChem CID129367724
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ccncc2)C1
InChIInChI=1S/C10H14N2O/c13-8-9-3-6-12(7-9)10-1-4-11-5-2-10/h1-2,4-5,9,13H,3,6-8H2/t9-/m0/s1
InChIKeyZZFSRQSOJHHRNC-VIFPVBQESA-N
XLogP0.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
CID 83618668
[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
CID 129413791
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115314620
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62592344

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol (CID 129367724) is [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol is OC[C@H]1CCN(c2ccncc2)C1.
What is the InChIKey of [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol?
The InChIKey is ZZFSRQSOJHHRNC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c13-8-9-3-6-12(7-9)10-1-4-11-5-2-10/h1-2,4-5,9,13H,3,6-8H2/t9-/m0/s1.
What are the key properties of [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol?
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol has a molecular weight of 178.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129367724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).