1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid

C14H17F2NO2 — CID 63124386

IUPAC1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C14H17F2NO2/c1-14(13(18)19)5-7-17(8-6-14)9-10-3-2-4-11(15)12(10)16/h2-4H,5-9H2,1H3,(H,18,19)
InChIKeyCVZPIJYXXOUBHD-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.65
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid

1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124386) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124386
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C14H17F2NO2/c1-14(13(18)19)5-7-17(8-6-14)9-10-3-2-4-11(15)12(10)16/h2-4H,5-9H2,1H3,(H,18,19)
InChIKeyCVZPIJYXXOUBHD-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124421
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114866930
(4R)-8-[(2,3-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97192922
1-[(2-fluoro-3-nitrophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107350125
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
1-[(3-amino-2-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081797
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165198

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid (CID 63124386) is 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is CVZPIJYXXOUBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-14(13(18)19)5-7-17(8-6-14)9-10-3-2-4-11(15)12(10)16/h2-4H,5-9H2,1H3,(H,18,19).
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid?
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 269.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).