4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine

C17H20N2O — CID 127245045

IUPAC4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCOc1ccc(C2CCCN2Cc2ccncc2)cc1
InChIInChI=1S/C17H20N2O/c1-20-16-6-4-15(5-7-16)17-3-2-12-19(17)13-14-8-10-18-11-9-14/h4-11,17H,2-3,12-13H2,1H3
InChIKeySCWQZZYVNQIZBK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.43
Rot. Bonds4

About 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine

4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 127245045) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID127245045
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCOc1ccc(C2CCCN2Cc2ccncc2)cc1
InChIInChI=1S/C17H20N2O/c1-20-16-6-4-15(5-7-16)17-3-2-12-19(17)13-14-8-10-18-11-9-14/h4-11,17H,2-3,12-13H2,1H3
InChIKeySCWQZZYVNQIZBK-UHFFFAOYSA-N
XLogP3.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 124591281
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
(2S)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 29233775
2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575611
1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46036755
2-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 46266484

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine (CID 127245045) is 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine is COc1ccc(C2CCCN2Cc2ccncc2)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is SCWQZZYVNQIZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-16-6-4-15(5-7-16)17-3-2-12-19(17)13-14-8-10-18-11-9-14/h4-11,17H,2-3,12-13H2,1H3.
What are the key properties of 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine?
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 268.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 127245045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).