1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid

C15H20FNO3 — CID 107072262

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
SMILESCOc1ccc(CN2CCCC(C)C2C(=O)O)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-10-4-3-7-17(14(10)15(18)19)9-11-5-6-12(20-2)8-13(11)16/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyPJRLJWZNKFGWTK-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.52
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid

1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072262) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107072262
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
SMILESCOc1ccc(CN2CCCC(C)C2C(=O)O)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-10-4-3-7-17(14(10)15(18)19)9-11-5-6-12(20-2)8-13(11)16/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyPJRLJWZNKFGWTK-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 102880149
1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-2-carbothioamide
CID 102876775
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 102877016
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785527
1-[(2-carbamoylphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072129
1-[(2-fluoro-5-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124597
1-[(3-fluoro-4-nitrophenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072245
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 102877018
N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107831
1-[2-(3-methoxyphenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069662
3-[4-[(2,3-dimethylpiperidin-1-yl)methyl]-3-fluorophenyl]prop-2-enoic acid
CID 76936253
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 102877392

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid (CID 107072262) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid is COc1ccc(CN2CCCC(C)C2C(=O)O)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is PJRLJWZNKFGWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10-4-3-7-17(14(10)15(18)19)9-11-5-6-12(20-2)8-13(11)16/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid?
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).