3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid

C17H24FNO4 — CID 67193971

IUPAC3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid
SMILESCOCCCOC(c1ccccc1F)C1CCCN(C(=O)O)C1
InChIInChI=1S/C17H24FNO4/c1-22-10-5-11-23-16(14-7-2-3-8-15(14)18)13-6-4-9-19(12-13)17(20)21/h2-3,7-8,13,16H,4-6,9-12H2,1H3,(H,20,21)
InChIKeyUVNKHFZIULQISC-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.31
Rot. Bonds7

About 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid

3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid (PubChem CID 67193971) has the molecular formula C17H24FNO4 and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid
PubChem CID67193971
Molecular FormulaC17H24FNO4
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid
SMILESCOCCCOC(c1ccccc1F)C1CCCN(C(=O)O)C1
InChIInChI=1S/C17H24FNO4/c1-22-10-5-11-23-16(14-7-2-3-8-15(14)18)13-6-4-9-19(12-13)17(20)21/h2-3,7-8,13,16H,4-6,9-12H2,1H3,(H,20,21)
InChIKeyUVNKHFZIULQISC-UHFFFAOYSA-N
XLogP3.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid (CID 67193971) is 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid is COCCCOC(c1ccccc1F)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid?
The InChIKey is UVNKHFZIULQISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4/c1-22-10-5-11-23-16(14-7-2-3-8-15(14)18)13-6-4-9-19(12-13)17(20)21/h2-3,7-8,13,16H,4-6,9-12H2,1H3,(H,20,21).
What are the key properties of 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid?
3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid has a molecular weight of 325.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)-(3-methoxypropoxy)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67193971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).