2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine

C19H23FN2O — CID 19807296

IUPAC2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C19H23FN2O/c20-18-6-4-16(5-7-18)14-23-15-17-8-11-22(12-9-17)13-19-3-1-2-10-21-19/h1-7,10,17H,8-9,11-15H2
InChIKeyQKJJATCVDNNOIX-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.65
Rot. Bonds6

About 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine

2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 19807296) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
PubChem CID19807296
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C19H23FN2O/c20-18-6-4-16(5-7-18)14-23-15-17-8-11-22(12-9-17)13-19-3-1-2-10-21-19/h1-7,10,17H,8-9,11-15H2
InChIKeyQKJJATCVDNNOIX-UHFFFAOYSA-N
XLogP3.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine (CID 19807296) is 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine is Fc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is QKJJATCVDNNOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-18-6-4-16(5-7-18)14-23-15-17-8-11-22(12-9-17)13-19-3-1-2-10-21-19/h1-7,10,17H,8-9,11-15H2.
What are the key properties of 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine?
2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 314.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 19807296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).