1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid

C15H20FNO2 — CID 65068532

IUPAC1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC(c1ccccc1F)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H20FNO2/c1-11(12-6-3-4-7-13(12)16)17-9-5-8-15(2,10-17)14(18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyFIEDYSZPWIQPJZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.07
Rot. Bonds3

About 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid

1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 65068532) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID65068532
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC(c1ccccc1F)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H20FNO2/c1-11(12-6-3-4-7-13(12)16)17-9-5-8-15(2,10-17)14(18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,18,19)
InChIKeyFIEDYSZPWIQPJZ-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 82973699
3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65063976
1-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064070
1-[1-(2,4-dihydroxyphenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068577
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
1-[1-(1-benzofuran-2-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068817
1-[1-(2-ethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064270
2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849330
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144
1-[1-(3-fluoro-4-methylsulfanylphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046198
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid (CID 65068532) is 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid is CC(c1ccccc1F)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is FIEDYSZPWIQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11(12-6-3-4-7-13(12)16)17-9-5-8-15(2,10-17)14(18)19/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid?
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).