3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid

C13H16FNO2 — CID 19980393

IUPAC3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)C(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FNO2/c1-15-6-5-11(13(16)17)12(8-15)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,16,17)
InChIKeyNTCKIUKUYYBCAB-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.95
Rot. Bonds2

About 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid

3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid (PubChem CID 19980393) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid
PubChem CID19980393
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)C(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FNO2/c1-15-6-5-11(13(16)17)12(8-15)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,16,17)
InChIKeyNTCKIUKUYYBCAB-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Meperidine acid
CID 101106
2-Methyl-2-(4-(2-methyl-3-(piperidin-1-yl)propyl)phenyl)propanoic acid
CID 137949073
1-(2-Phenylacetyl)piperidine-4-carboxylic acid
CID 280747
1-(3-Phenylpropanoyl)piperidine-4-carboxylic acid
CID 2813193
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
CID 139597728
4-Fluorophenibut
CID 103611
4-Fluoropethidine
CID 11184669
(R)-4-Amino-3-(4-fluorophenyl)butanoic acid
CID 14178681
2-[(2S,3R)-4,4-difluoro-1-[(4R)-1,1,1-trifluoro-7,7-dimethyloctan-4-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetic acid
CID 24963621
2-[(2S,3R)-1-(2,8-dimethylnonan-5-yl)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetic acid
CID 24963625
Methyl 3-phenyl-3-piperidin-2-ylpropanoate
CID 44354511
methyl 3,4-cis-N-methyl-4-phenylpiperidine-3-carboxylate
CID 42145

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid (CID 19980393) is 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid is CN1CCC(C(=O)O)C(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid?
The InChIKey is NTCKIUKUYYBCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15-6-5-11(13(16)17)12(8-15)9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid?
3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 19980393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).