1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid

C17H18FNO3 — CID 5225573

IUPAC1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2ccco2)c2ccccc2F)C1
InChIInChI=1S/C17H18FNO3/c18-14-7-2-1-6-13(14)16(15-8-4-10-22-15)19-9-3-5-12(11-19)17(20)21/h1-2,4,6-8,10,12,16H,3,5,9,11H2,(H,20,21)
InChIKeyMCNGOTMCKZOJAQ-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.30
Rot. Bonds4

About 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid

1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 5225573) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
PubChem CID5225573
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2ccco2)c2ccccc2F)C1
InChIInChI=1S/C17H18FNO3/c18-14-7-2-1-6-13(14)16(15-8-4-10-22-15)19-9-3-5-12(11-19)17(20)21/h1-2,4,6-8,10,12,16H,3,5,9,11H2,(H,20,21)
InChIKeyMCNGOTMCKZOJAQ-UHFFFAOYSA-N
XLogP3.30
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3344126
1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
CID 4290710
1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 3632610
1-[(2,4-dimethoxyphenyl)-(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4238346
1-[bis(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5171074
1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 3465091
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
1-[(2,4-difluorophenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3946600
1-[(2,4-difluorophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 5014352
1-[(2-chlorophenyl)-(2,3-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 3978380
(3R)-1-[(S)-(3-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 129460497
1-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3388039

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid (CID 5225573) is 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(c2ccco2)c2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is MCNGOTMCKZOJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-14-7-2-1-6-13(14)16(15-8-4-10-22-15)19-9-3-5-12(11-19)17(20)21/h1-2,4,6-8,10,12,16H,3,5,9,11H2,(H,20,21).
What are the key properties of 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid?
1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 303.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 5225573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).