1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid

C15H20FNO4 — CID 67515916

IUPAC1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid
SMILESCOc1cccc(F)c1CN1CC(OC)CC(C(=O)O)C1
InChIInChI=1S/C15H20FNO4/c1-20-11-6-10(15(18)19)7-17(8-11)9-12-13(16)4-3-5-14(12)21-2/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyNOQTUVDIDWBJIO-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.76
Rot. Bonds5

About 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid

1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid (PubChem CID 67515916) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid
PubChem CID67515916
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid
SMILESCOc1cccc(F)c1CN1CC(OC)CC(C(=O)O)C1
InChIInChI=1S/C15H20FNO4/c1-20-11-6-10(15(18)19)7-17(8-11)9-12-13(16)4-3-5-14(12)21-2/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyNOQTUVDIDWBJIO-UHFFFAOYSA-N
XLogP1.76
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid (CID 67515916) is 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid is COc1cccc(F)c1CN1CC(OC)CC(C(=O)O)C1.
What is the InChIKey of 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid?
The InChIKey is NOQTUVDIDWBJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-20-11-6-10(15(18)19)7-17(8-11)9-12-13(16)4-3-5-14(12)21-2/h3-5,10-11H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid?
1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid has a molecular weight of 297.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methoxypiperidine-3-carboxylic acid is sourced from PubChem (CID 67515916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).