1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol

C12H18N2O — CID 67495346

IUPAC1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
SMILESCC(O)CN1CCCC1c1cccnc1
InChIInChI=1S/C12H18N2O/c1-10(15)9-14-7-3-5-12(14)11-4-2-6-13-8-11/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3
InChIKeyZCAWDCDNSAFVFD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol

1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 67495346) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID67495346
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
SMILESCC(O)CN1CCCC1c1cccnc1
InChIInChI=1S/C12H18N2O/c1-10(15)9-14-7-3-5-12(14)11-4-2-6-13-8-11/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3
InChIKeyZCAWDCDNSAFVFD-UHFFFAOYSA-N
XLogP1.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol
CID 62264751
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol (CID 67495346) is 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol is CC(O)CN1CCCC1c1cccnc1.
What is the InChIKey of 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is ZCAWDCDNSAFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(15)9-14-7-3-5-12(14)11-4-2-6-13-8-11/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3.
What are the key properties of 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol?
1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 206.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 67495346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).