4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid

C14H17F2NO2 — CID 63187550

IUPAC4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid
SMILESCC1CCCC(C)N1c1c(F)cc(C(=O)O)cc1F
InChIInChI=1S/C14H17F2NO2/c1-8-4-3-5-9(2)17(8)13-11(15)6-10(14(18)19)7-12(13)16/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyJJRAIKGMAIXUID-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.43
Rot. Bonds2

About 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid

4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid (PubChem CID 63187550) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid
PubChem CID63187550
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid
SMILESCC1CCCC(C)N1c1c(F)cc(C(=O)O)cc1F
InChIInChI=1S/C14H17F2NO2/c1-8-4-3-5-9(2)17(8)13-11(15)6-10(14(18)19)7-12(13)16/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyJJRAIKGMAIXUID-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid (CID 63187550) is 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid is CC1CCCC(C)N1c1c(F)cc(C(=O)O)cc1F.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid?
The InChIKey is JJRAIKGMAIXUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-8-4-3-5-9(2)17(8)13-11(15)6-10(14(18)19)7-12(13)16/h6-9H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid?
4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid has a molecular weight of 269.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-3,5-difluorobenzoic acid is sourced from PubChem (CID 63187550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).