3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine

C18H22N2O — CID 141339325

IUPAC3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
SMILESCOc1ccc([C@@H](C)N2CCC[C@H]2c2cccnc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(15-7-9-17(21-2)10-8-15)20-12-4-6-18(20)16-5-3-11-19-13-16/h3,5,7-11,13-14,18H,4,6,12H2,1-2H3/t14-,18+/m1/s1
InChIKeyBTGJKUOWTSCKGM-KDOFPFPSSA-N
MW282.39 g/mol
LogP3.99
Rot. Bonds4

About 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine

3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine (PubChem CID 141339325) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
PubChem CID141339325
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
SMILESCOc1ccc([C@@H](C)N2CCC[C@H]2c2cccnc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(15-7-9-17(21-2)10-8-15)20-12-4-6-18(20)16-5-3-11-19-13-16/h3,5,7-11,13-14,18H,4,6,12H2,1-2H3/t14-,18+/m1/s1
InChIKeyBTGJKUOWTSCKGM-KDOFPFPSSA-N
XLogP3.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]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

3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
CID 101170650
2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 155011325
3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 58191785
CID 90084774
CID 90084774
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine (CID 141339325) is 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine is COc1ccc([C@@H](C)N2CCC[C@H]2c2cccnc2)cc1.
What is the InChIKey of 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The InChIKey is BTGJKUOWTSCKGM-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(15-7-9-17(21-2)10-8-15)20-12-4-6-18(20)16-5-3-11-19-13-16/h3,5,7-11,13-14,18H,4,6,12H2,1-2H3/t14-,18+/m1/s1.
What are the key properties of 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 141339325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).