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

C18H22N2O — CID 124591492

IUPAC4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
SMILESCOc1ccc([C@H]2CCN(CCc3ccncc3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-4-2-16(3-5-18)17-9-13-20(14-17)12-8-15-6-10-19-11-7-15/h2-7,10-11,17H,8-9,12-14H2,1H3/t17-/m0/s1
InChIKeyQBQGEVSVGLKQJR-KRWDZBQOSA-N
MW282.39 g/mol
LogP3.12
Rot. Bonds5

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

4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine (PubChem CID 124591492) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
PubChem CID124591492
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
SMILESCOc1ccc([C@H]2CCN(CCc3ccncc3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-4-2-16(3-5-18)17-9-13-20(14-17)12-8-15-6-10-19-11-7-15/h2-7,10-11,17H,8-9,12-14H2,1H3/t17-/m0/s1
InChIKeyQBQGEVSVGLKQJR-KRWDZBQOSA-N
XLogP3.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
CID 75483244
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine
CID 155876238
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
3-(4-methoxyphenyl)-1-propylpiperidine;hydrochloride
CID 70348446
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
(2R)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-2-methylmorpholine
CID 124737887

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine?
The IUPAC name of 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine (CID 124591492) is 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine?
The canonical SMILES for 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine is COc1ccc([C@H]2CCN(CCc3ccncc3)C2)cc1.
What is the InChIKey of 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine?
The InChIKey is QBQGEVSVGLKQJR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-4-2-16(3-5-18)17-9-13-20(14-17)12-8-15-6-10-19-11-7-15/h2-7,10-11,17H,8-9,12-14H2,1H3/t17-/m0/s1.
What are the key properties of 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine?
4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 124591492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).