3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid

C14H16FNO4 — CID 90341897

IUPAC3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(C2CCN(C(=O)O)CC2F)cc1
InChIInChI=1S/C14H16FNO4/c1-20-13(17)10-4-2-9(3-5-10)11-6-7-16(14(18)19)8-12(11)15/h2-5,11-12H,6-8H2,1H3,(H,18,19)
InChIKeyQRLAVCYIBHZNNY-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.28
Rot. Bonds2

About 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid

3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid (PubChem CID 90341897) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid
PubChem CID90341897
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(C2CCN(C(=O)O)CC2F)cc1
InChIInChI=1S/C14H16FNO4/c1-20-13(17)10-4-2-9(3-5-10)11-6-7-16(14(18)19)8-12(11)15/h2-5,11-12H,6-8H2,1H3,(H,18,19)
InChIKeyQRLAVCYIBHZNNY-UHFFFAOYSA-N
XLogP2.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 83855966
tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane
CID 144885917
tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 118294750
methyl 4-(2-methylcyclopentyl)benzoate
CID 138974575
4-(4-methoxycarbonylphenyl)-3-methylpiperazine-1-carboxylic acid
CID 175133649
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157
methyl 4-[2-(fluorocarbamoyl)cyclobutyl]benzoate
CID 153453943
tert-butyl (3S,4R)-4-(4-butoxyphenyl)-3-fluoropiperidine-1-carboxylate
CID 118221140
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
CID 118628389
3-fluoro-4-[4-[[4-[6-methoxy-1-(methylcarbamoyl)indol-5-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylic acid
CID 90342123

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid (CID 90341897) is 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid is COC(=O)c1ccc(C2CCN(C(=O)O)CC2F)cc1.
What is the InChIKey of 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid?
The InChIKey is QRLAVCYIBHZNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-13(17)10-4-2-9(3-5-10)11-6-7-16(14(18)19)8-12(11)15/h2-5,11-12H,6-8H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid?
3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 90341897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).