1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid

C14H18FNO2 — CID 114055337

IUPAC1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(F)c(CN2CCCCC2C(=O)O)c1
InChIInChI=1S/C14H18FNO2/c1-10-5-6-12(15)11(8-10)9-16-7-3-2-4-13(16)14(17)18/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyOOLJTICXJFTOFQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.57
Rot. Bonds3

About 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid

1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 114055337) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID114055337
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(F)c(CN2CCCCC2C(=O)O)c1
InChIInChI=1S/C14H18FNO2/c1-10-5-6-12(15)11(8-10)9-16-7-3-2-4-13(16)14(17)18/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyOOLJTICXJFTOFQ-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
1-[(2,4-dimethylphenyl)methyl]azepane-2-carboxylic acid
CID 65069954
1-[(2-chloro-4-methylphenyl)methyl]azepane-2-carboxylic acid
CID 106865263
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 114850863
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
CID 6938215
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
1-[(4-carbamoyl-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43441046
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
(3R)-8-(cyclopropanecarbonyl)-2-[(2-fluoro-5-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95874086

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid (CID 114055337) is 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid is Cc1ccc(F)c(CN2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is OOLJTICXJFTOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-5-6-12(15)11(8-10)9-16-7-3-2-4-13(16)14(17)18/h5-6,8,13H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114055337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).