3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride

C13H22Cl2N2O — CID 70127965

IUPAC3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
SMILESCCC[C@H]1CCN[C@H]1COc1cccnc1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-2-4-11-6-8-15-13(11)10-16-12-5-3-7-14-9-12;;/h3,5,7,9,11,13,15H,2,4,6,8,10H2,1H3;2*1H/t11-,13-;;/m0../s1
InChIKeyBVCMSRUCADJWKV-JBUFHSOLSA-N
MW293.24 g/mol
LogP3.08
Rot. Bonds5

About 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride

3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride (PubChem CID 70127965) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
PubChem CID70127965
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
SMILESCCC[C@H]1CCN[C@H]1COc1cccnc1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-2-4-11-6-8-15-13(11)10-16-12-5-3-7-14-9-12;;/h3,5,7,9,11,13,15H,2,4,6,8,10H2,1H3;2*1H/t11-,13-;;/m0../s1
InChIKeyBVCMSRUCADJWKV-JBUFHSOLSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The IUPAC name of 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride (CID 70127965) is 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride.
What is the SMILES notation for 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The canonical SMILES for 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride is CCC[C@H]1CCN[C@H]1COc1cccnc1.Cl.Cl.
What is the InChIKey of 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The InChIKey is BVCMSRUCADJWKV-JBUFHSOLSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-2-4-11-6-8-15-13(11)10-16-12-5-3-7-14-9-12;;/h3,5,7,9,11,13,15H,2,4,6,8,10H2,1H3;2*1H/t11-,13-;;/m0../s1.
What are the key properties of 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride is sourced from PubChem (CID 70127965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).