1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine

C23H29FN2O2 — CID 144629681

IUPAC1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine
SMILESCOc1ccc(F)c(N2CCC(Oc3ccc(N4CCCC4)cc3)C(C)C2)c1
InChIInChI=1S/C23H29FN2O2/c1-17-16-26(22-15-20(27-2)9-10-21(22)24)14-11-23(17)28-19-7-5-18(6-8-19)25-12-3-4-13-25/h5-10,15,17,23H,3-4,11-14,16H2,1-2H3
InChIKeyMOYJLJXQLGLZHR-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.73
Rot. Bonds5

About 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine

1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine (PubChem CID 144629681) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine
PubChem CID144629681
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine
SMILESCOc1ccc(F)c(N2CCC(Oc3ccc(N4CCCC4)cc3)C(C)C2)c1
InChIInChI=1S/C23H29FN2O2/c1-17-16-26(22-15-20(27-2)9-10-21(22)24)14-11-23(17)28-19-7-5-18(6-8-19)25-12-3-4-13-25/h5-10,15,17,23H,3-4,11-14,16H2,1-2H3
InChIKeyMOYJLJXQLGLZHR-UHFFFAOYSA-N
XLogP4.73
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-5-methoxyphenyl)-4-(4-iodophenoxy)-3-methylpiperidine
CID 142726683
3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine
CID 141404874
2-[(2R,4R)-1-[4-[(3R,4R)-1-(2-fluoro-5-methoxyphenyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid
CID 171342065
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689
2-[(2S,4R)-4-fluoro-1-[4-[1-(2-fluoro-5-methoxyphenyl)-3-methylpiperidin-4-yl]oxyphenyl]pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 75202606
1-(2-fluoro-5-methoxyphenyl)piperidin-4-ol
CID 70198128
2-[(2S,3R,4R)-1-[4-[1-(5-ethoxy-2-fluorophenyl)-3-methylpiperidin-4-yl]oxyphenyl]-3,4-dimethylpyrrolidin-2-yl]acetic acid
CID 130252387
2-[(2R,4R)-1-[4-[1-(5-methoxy-2-methylphenyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methylpyrrolidin-2-yl]acetic acid
CID 130252547
1-(5-ethoxy-2-fluorophenyl)-4-[4-[(3R)-3-(3-methoxypropoxy)-4-methylpyrrolidin-1-yl]phenoxy]piperidine
CID 134405102
2-[(2R,4R)-4-(difluoromethoxy)-1-[4-[(3R,4R)-1-(5-ethoxy-2-fluorophenyl)-3-methylpiperidin-4-yl]oxyphenyl]pyrrolidin-2-yl]acetic acid
CID 171352410
2-chloro-5-[(3S,4R)-1-(5-ethoxy-2-fluorophenyl)-3-methylpiperidin-4-yl]oxypyrazine
CID 118498518
5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 144629737

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine (CID 144629681) is 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine is COc1ccc(F)c(N2CCC(Oc3ccc(N4CCCC4)cc3)C(C)C2)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine?
The InChIKey is MOYJLJXQLGLZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-17-16-26(22-15-20(27-2)9-10-21(22)24)14-11-23(17)28-19-7-5-18(6-8-19)25-12-3-4-13-25/h5-10,15,17,23H,3-4,11-14,16H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine?
1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine has a molecular weight of 384.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)-3-methyl-4-(4-pyrrolidin-1-ylphenoxy)piperidine is sourced from PubChem (CID 144629681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).