2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid

C13H16F2N2O2 — CID 162705309

IUPAC2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid
SMILESCc1cc(CC(=O)O)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F2N2O2/c1-9-6-10(7-11(18)19)8-16-12(9)17-4-2-13(14,15)3-5-17/h6,8H,2-5,7H2,1H3,(H,18,19)
InChIKeyKDDDMERAVUVKIB-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.25
Rot. Bonds3

About 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid

2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid (PubChem CID 162705309) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid
PubChem CID162705309
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid
SMILESCc1cc(CC(=O)O)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F2N2O2/c1-9-6-10(7-11(18)19)8-16-12(9)17-4-2-13(14,15)3-5-17/h6,8H,2-5,7H2,1H3,(H,18,19)
InChIKeyKDDDMERAVUVKIB-UHFFFAOYSA-N
XLogP2.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid
CID 169088216
tert-butyl 2-[5-chloro-6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]acetate
CID 162705249
5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine
CID 150405817
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628816
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4,4-dimethylazepane
CID 107084111
1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356760
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
CID 162444317
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
2-[[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]methyl]-1,3-thiazole-5-carboxylic acid
CID 175446377
(E)-3-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80634012

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid (CID 162705309) is 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid is Cc1cc(CC(=O)O)cnc1N1CCC(F)(F)CC1.
What is the InChIKey of 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid?
The InChIKey is KDDDMERAVUVKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-9-6-10(7-11(18)19)8-16-12(9)17-4-2-13(14,15)3-5-17/h6,8H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid?
2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid has a molecular weight of 270.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 162705309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).