5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C19H20F2N2O2 — CID 138052626

IUPAC5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(CN2CCC(Cc3c(F)cccc3F)CC2)c1
InChIInChI=1S/C19H20F2N2O2/c20-17-2-1-3-18(21)16(17)9-13-4-6-23(7-5-13)12-14-8-15(19(24)25)11-22-10-14/h1-3,8,10-11,13H,4-7,9,12H2,(H,24,25)
InChIKeyOETRKWWZTFREBK-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.51
Rot. Bonds5

About 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid

5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 138052626) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID138052626
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(CN2CCC(Cc3c(F)cccc3F)CC2)c1
InChIInChI=1S/C19H20F2N2O2/c20-17-2-1-3-18(21)16(17)9-13-4-6-23(7-5-13)12-14-8-15(19(24)25)11-22-10-14/h1-3,8,10-11,13H,4-7,9,12H2,(H,24,25)
InChIKeyOETRKWWZTFREBK-UHFFFAOYSA-N
XLogP3.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
3-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 56905480
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
5-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 169412322
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
5-[[1-[(4,5-dimethylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 169421004
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 138052626) is 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(CN2CCC(Cc3c(F)cccc3F)CC2)c1.
What is the InChIKey of 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is OETRKWWZTFREBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-17-2-1-3-18(21)16(17)9-13-4-6-23(7-5-13)12-14-8-15(19(24)25)11-22-10-14/h1-3,8,10-11,13H,4-7,9,12H2,(H,24,25).
What are the key properties of 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 138052626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).