3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride

C13H22Cl2N2O — CID 67586328

IUPAC3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
SMILESCC(C)[C@]1(COc2cccnc2)CCCN1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-11(2)13(6-4-8-15-13)10-16-12-5-3-7-14-9-12;;/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyPXJXUJJNGXACKO-FFXKMJQXSA-N
MW293.24 g/mol
LogP3.08
Rot. Bonds4

About 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride

3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride (PubChem CID 67586328) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
PubChem CID67586328
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
SMILESCC(C)[C@]1(COc2cccnc2)CCCN1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-11(2)13(6-4-8-15-13)10-16-12-5-3-7-14-9-12;;/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3;2*1H/t13-;;/m1../s1
InChIKeyPXJXUJJNGXACKO-FFXKMJQXSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyridin-3-yloxymethyl)piperidin-4-ol
CID 112703881
3-[(5-methyl-1,2-dihydropyrrol-5-yl)methoxy]pyridine
CID 75009780
2-benzyl-2-propan-2-ylpyrrolidine
CID 66466509
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine
CID 117051343
cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine
CID 15980554
3-(2-propylpyrrolidin-2-yl)pyridine
CID 66468075
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 70127965
3-(3-phenoxypropoxy)pyridine
CID 86195847
2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine
CID 117271523

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The IUPAC name of 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride (CID 67586328) is 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride.
What is the SMILES notation for 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The canonical SMILES for 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride is CC(C)[C@]1(COc2cccnc2)CCCN1.Cl.Cl.
What is the InChIKey of 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The InChIKey is PXJXUJJNGXACKO-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-11(2)13(6-4-8-15-13)10-16-12-5-3-7-14-9-12;;/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3;2*1H/t13-;;/m1../s1.
What are the key properties of 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-propan-2-ylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride is sourced from PubChem (CID 67586328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).