1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid

C14H18FNO3 — CID 138632223

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid
SMILESCc1ccc(CN2CCCC(O)C2C(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c1-9-4-5-10(7-11(9)15)8-16-6-2-3-12(17)13(16)14(18)19/h4-5,7,12-13,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeySUPXUYPIJXALOF-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.54
Rot. Bonds3

About 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid

1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid (PubChem CID 138632223) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid
PubChem CID138632223
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid
SMILESCc1ccc(CN2CCCC(O)C2C(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c1-9-4-5-10(7-11(9)15)8-16-6-2-3-12(17)13(16)14(18)19/h4-5,7,12-13,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeySUPXUYPIJXALOF-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid (CID 138632223) is 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid is Cc1ccc(CN2CCCC(O)C2C(=O)O)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid?
The InChIKey is SUPXUYPIJXALOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-4-5-10(7-11(9)15)8-16-6-2-3-12(17)13(16)14(18)19/h4-5,7,12-13,17H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid?
1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-3-hydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 138632223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).