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

C18H22N2O — CID 155011325

IUPAC2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
SMILESCOc1ccc([C@@H](C)N2CCCC2c2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-14(15-8-10-16(21-2)11-9-15)20-13-5-7-18(20)17-6-3-4-12-19-17/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3/t14-,18?/m1/s1
InChIKeyCXKYQGRAIMHPEJ-IKJXHCRLSA-N
MW282.39 g/mol
LogP3.99
Rot. Bonds4

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

2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine (PubChem CID 155011325) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
PubChem CID155011325
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
SMILESCOc1ccc([C@@H](C)N2CCCC2c2ccccn2)cc1
InChIInChI=1S/C18H22N2O/c1-14(15-8-10-16(21-2)11-9-15)20-13-5-7-18(20)17-6-3-4-12-19-17/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3/t14-,18?/m1/s1
InChIKeyCXKYQGRAIMHPEJ-IKJXHCRLSA-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

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Related Compounds

3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 141339325
2-[(2S)-3,3-difluoro-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 178086565
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
(2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid
CID 178087255
(2S)-2-(3-bromocyclohexa-1,3-dien-1-yl)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine
CID 143657081
3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 58191785
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
CID 61263705
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871730
3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
CID 101170650
CID 90084774
CID 90084774
3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4599866

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine (CID 155011325) is 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine is COc1ccc([C@@H](C)N2CCCC2c2ccccn2)cc1.
What is the InChIKey of 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The InChIKey is CXKYQGRAIMHPEJ-IKJXHCRLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(15-8-10-16(21-2)11-9-15)20-13-5-7-18(20)17-6-3-4-12-19-17/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3/t14-,18?/m1/s1.
What are the key properties of 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
2-[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 2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 155011325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).