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

C21H25FN2O5 — CID 71784909

IUPAC2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid
SMILESFc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H23FN2O.C2H2O4/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;3-1(4)2(5)6/h1-7,10,17H,8-9,11-15H2;(H,3,4)(H,5,6)
InChIKeyHECJJOXCKWONFW-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.81
Rot. Bonds6

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

2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid (PubChem CID 71784909) has the molecular formula C21H25FN2O5 and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid
PubChem CID71784909
Molecular FormulaC21H25FN2O5
Molecular Weight404.44 g/mol
Exact Mass404.17
IUPAC Name2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid
SMILESFc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H23FN2O.C2H2O4/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;3-1(4)2(5)6/h1-7,10,17H,8-9,11-15H2;(H,3,4)(H,5,6)
InChIKeyHECJJOXCKWONFW-UHFFFAOYSA-N
XLogP2.81
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid (CID 71784909) is 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid is Fc1ccc(COCC2CCN(Cc3ccccn3)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid?
The InChIKey is HECJJOXCKWONFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O.C2H2O4/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;3-1(4)2(5)6/h1-7,10,17H,8-9,11-15H2;(H,3,4)(H,5,6).
What are the key properties of 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid?
2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid has a molecular weight of 404.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid is sourced from PubChem (CID 71784909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).