3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine

C19H23FN2O2 — CID 56883237

IUPAC3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESCOc1ccc(CN2CCC(OCc3cccnc3)CC2)c(F)c1
InChIInChI=1S/C19H23FN2O2/c1-23-18-5-4-16(19(20)11-18)13-22-9-6-17(7-10-22)24-14-15-3-2-8-21-12-15/h2-5,8,11-12,17H,6-7,9-10,13-14H2,1H3
InChIKeyLBVNZGRQGNRQAO-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.41
Rot. Bonds6

About 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 56883237) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID56883237
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESCOc1ccc(CN2CCC(OCc3cccnc3)CC2)c(F)c1
InChIInChI=1S/C19H23FN2O2/c1-23-18-5-4-16(19(20)11-18)13-22-9-6-17(7-10-22)24-14-15-3-2-8-21-12-15/h2-5,8,11-12,17H,6-7,9-10,13-14H2,1H3
InChIKeyLBVNZGRQGNRQAO-UHFFFAOYSA-N
XLogP3.41
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine (CID 56883237) is 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine is COc1ccc(CN2CCC(OCc3cccnc3)CC2)c(F)c1.
What is the InChIKey of 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is LBVNZGRQGNRQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-23-18-5-4-16(19(20)11-18)13-22-9-6-17(7-10-22)24-14-15-3-2-8-21-12-15/h2-5,8,11-12,17H,6-7,9-10,13-14H2,1H3.
What are the key properties of 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 330.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 56883237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).