3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine

C13H20N2O3 — CID 103173413

IUPAC3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine
SMILESCOc1ccnc(COCC2CCNC2)c1OC
InChIInChI=1S/C13H20N2O3/c1-16-12-4-6-15-11(13(12)17-2)9-18-8-10-3-5-14-7-10/h4,6,10,14H,3,5,7-9H2,1-2H3
InChIKeyIHEASWIISNXKAP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.22
Rot. Bonds6

About 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine

3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine (PubChem CID 103173413) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine.

Molecular Properties

Compound Name3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine
PubChem CID103173413
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine
SMILESCOc1ccnc(COCC2CCNC2)c1OC
InChIInChI=1S/C13H20N2O3/c1-16-12-4-6-15-11(13(12)17-2)9-18-8-10-3-5-14-7-10/h4,6,10,14H,3,5,7-9H2,1-2H3
InChIKeyIHEASWIISNXKAP-UHFFFAOYSA-N
XLogP1.22
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxy-2-pyridinyl)methoxymethyl]-6-methylmorpholine
CID 103173438
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline
CID 157040753
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
2-methoxy-4-(pyrrolidin-3-ylmethoxymethyl)benzonitrile
CID 106792418
2-chloro-3-(piperidin-3-ylmethoxymethyl)pyrazine
CID 71640652
2-methylsulfanyl-3-[[(3S)-piperidin-3-yl]methoxymethyl]pyrazine
CID 97165062
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine?
The IUPAC name of 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine (CID 103173413) is 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine.
What is the SMILES notation for 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine?
The canonical SMILES for 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine is COc1ccnc(COCC2CCNC2)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine?
The InChIKey is IHEASWIISNXKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-16-12-4-6-15-11(13(12)17-2)9-18-8-10-3-5-14-7-10/h4,6,10,14H,3,5,7-9H2,1-2H3.
What are the key properties of 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine?
3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine has a molecular weight of 252.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine is sourced from PubChem (CID 103173413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).