4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine

C17H20N2O — CID 122138322

IUPAC4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
SMILESCOc1cccc(CN2CCCC2c2ccncc2)c1
InChIInChI=1S/C17H20N2O/c1-20-16-5-2-4-14(12-16)13-19-11-3-6-17(19)15-7-9-18-10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3
InChIKeyRHWVCWYURZNZNS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.43
Rot. Bonds4

About 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine

4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 122138322) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID122138322
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
SMILESCOc1cccc(CN2CCCC2c2ccncc2)c1
InChIInChI=1S/C17H20N2O/c1-20-16-5-2-4-14(12-16)13-19-11-3-6-17(19)15-7-9-18-10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3
InChIKeyRHWVCWYURZNZNS-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

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Related Compounds

4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575611
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 46266484
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
5-(3-methoxyphenyl)-8-[(2-phenylpyrrolidin-1-yl)methyl]isoquinoline
CID 118916643

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine (CID 122138322) is 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine is COc1cccc(CN2CCCC2c2ccncc2)c1.
What is the InChIKey of 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is RHWVCWYURZNZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-16-5-2-4-14(12-16)13-19-11-3-6-17(19)15-7-9-18-10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3.
What are the key properties of 4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine?
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]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-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 122138322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).