(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride

C11H18Cl2N2O2 — CID 18391712

IUPAC(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCN1C[C@H](O)C[C@H]1COc1cccnc1.Cl.Cl
InChIInChI=1S/C11H16N2O2.2ClH/c1-13-7-10(14)5-9(13)8-15-11-3-2-4-12-6-11;;/h2-4,6,9-10,14H,5,7-8H2,1H3;2*1H/t9-,10+;;/m0../s1
InChIKeyIRWRKUACKGWVHO-JXGSBULDSA-N
MW281.18 g/mol
LogP1.37
Rot. Bonds3

About (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride

(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride (PubChem CID 18391712) has the molecular formula C11H18Cl2N2O2 and a molecular weight of 281.18 g/mol. Its IUPAC name is (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
PubChem CID18391712
Molecular FormulaC11H18Cl2N2O2
Molecular Weight281.18 g/mol
Exact Mass280.07
IUPAC Name(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCN1C[C@H](O)C[C@H]1COc1cccnc1.Cl.Cl
InChIInChI=1S/C11H16N2O2.2ClH/c1-13-7-10(14)5-9(13)8-15-11-3-2-4-12-6-11;;/h2-4,6,9-10,14H,5,7-8H2,1H3;2*1H/t9-,10+;;/m0../s1
InChIKeyIRWRKUACKGWVHO-JXGSBULDSA-N
XLogP1.37
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride (CID 18391712) is (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride is CN1C[C@H](O)C[C@H]1COc1cccnc1.Cl.Cl.
What is the InChIKey of (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride?
The InChIKey is IRWRKUACKGWVHO-JXGSBULDSA-N. The full InChI is InChI=1S/C11H16N2O2.2ClH/c1-13-7-10(14)5-9(13)8-15-11-3-2-4-12-6-11;;/h2-4,6,9-10,14H,5,7-8H2,1H3;2*1H/t9-,10+;;/m0../s1.
What are the key properties of (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride?
(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride has a molecular weight of 281.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 18391712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).