1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

C14H18FNO2 — CID 63137295

IUPAC1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C14H18FNO2/c1-14(13(17)18)7-4-8-16(10-14)9-11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,17,18)
InChIKeyOEKUMFYCENWQNC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.51
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63137295) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63137295
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C14H18FNO2/c1-14(13(17)18)7-4-8-16(10-14)9-11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,17,18)
InChIKeyOEKUMFYCENWQNC-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63136876
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136985
1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068526
1-[(2-bromophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147916
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[(2-fluorophenyl)methyl]-3-[[2-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 110229392
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386
3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 63137246
1-[(5-bromo-2-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114077323
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165198

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid (CID 63137295) is 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is OEKUMFYCENWQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(13(17)18)7-4-8-16(10-14)9-11-5-2-3-6-12(11)15/h2-3,5-6H,4,7-10H2,1H3,(H,17,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).