2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride

C11H17ClN2O — CID 118342696

IUPAC2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride
SMILESCOC(c1ccccn1)C1CCNC1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-14-11(9-5-7-12-8-9)10-4-2-3-6-13-10;/h2-4,6,9,11-12H,5,7-8H2,1H3;1H
InChIKeyVOKXXHNHPAHASI-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.80
Rot. Bonds3

About 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride

2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride (PubChem CID 118342696) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride
PubChem CID118342696
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride
SMILESCOC(c1ccccn1)C1CCNC1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-14-11(9-5-7-12-8-9)10-4-2-3-6-13-10;/h2-4,6,9,11-12H,5,7-8H2,1H3;1H
InChIKeyVOKXXHNHPAHASI-UHFFFAOYSA-N
XLogP1.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine
CID 68596518
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515
2-[1-[(3R)-piperidin-3-yl]oxyethyl]pyridine;hydrochloride
CID 71637869
2-(1-piperidin-4-yloxyethyl)pyridine
CID 71637942
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752882
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 86329926

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride?
The IUPAC name of 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride (CID 118342696) is 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride.
What is the SMILES notation for 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride?
The canonical SMILES for 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride is COC(c1ccccn1)C1CCNC1.Cl.
What is the InChIKey of 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride?
The InChIKey is VOKXXHNHPAHASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-14-11(9-5-7-12-8-9)10-4-2-3-6-13-10;/h2-4,6,9,11-12H,5,7-8H2,1H3;1H.
What are the key properties of 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride?
2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride is sourced from PubChem (CID 118342696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).