2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine

C18H21FN2O — CID 25263327

IUPAC2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1OCc1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-13-17(15-5-8-20-9-6-15)7-10-21-18(13)22-12-14-3-2-4-16(19)11-14/h2-4,7,10-11,15,20H,5-6,8-9,12H2,1H3
InChIKeyITLDPPKHTIWSPM-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.58
Rot. Bonds4

About 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine

2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine (PubChem CID 25263327) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
PubChem CID25263327
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine
SMILESCc1c(C2CCNCC2)ccnc1OCc1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-13-17(15-5-8-20-9-6-15)7-10-21-18(13)22-12-14-3-2-4-16(19)11-14/h2-4,7,10-11,15,20H,5-6,8-9,12H2,1H3
InChIKeyITLDPPKHTIWSPM-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine (CID 25263327) is 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine is Cc1c(C2CCNCC2)ccnc1OCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
The InChIKey is ITLDPPKHTIWSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13-17(15-5-8-20-9-6-15)7-10-21-18(13)22-12-14-3-2-4-16(19)11-14/h2-4,7,10-11,15,20H,5-6,8-9,12H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine?
2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine has a molecular weight of 300.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]-3-methyl-4-piperidin-4-ylpyridine is sourced from PubChem (CID 25263327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).