1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid

C14H16FNO3 — CID 82304051

IUPAC1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)(c2ccccc2F)CC1
InChIInChI=1S/C14H16FNO3/c1-10(17)16-8-6-14(7-9-16,13(18)19)11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyHPZBPNPTDZKTHQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.79
Rot. Bonds2

About 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid

1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid (PubChem CID 82304051) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
PubChem CID82304051
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)(c2ccccc2F)CC1
InChIInChI=1S/C14H16FNO3/c1-10(17)16-8-6-14(7-9-16,13(18)19)11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyHPZBPNPTDZKTHQ-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 24799143
1-(2-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64906471
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
1-[3-(2-fluorophenyl)-2-methylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168537
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 110485219
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid (CID 82304051) is 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid is CC(=O)N1CCC(C(=O)O)(c2ccccc2F)CC1.
What is the InChIKey of 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The InChIKey is HPZBPNPTDZKTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-10(17)16-8-6-14(7-9-16,13(18)19)11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,18,19).
What are the key properties of 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid?
1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82304051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).