4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid

C15H20F2N2O3 — CID 167834356

IUPAC4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCOc1nc(CN2CCC(C(=O)O)(C(F)F)CC2)ccc1C
InChIInChI=1S/C15H20F2N2O3/c1-10-3-4-11(18-12(10)22-2)9-19-7-5-15(6-8-19,13(16)17)14(20)21/h3-4,13H,5-9H2,1-2H3,(H,20,21)
InChIKeyWGDIUBNCJJZXKP-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.33
Rot. Bonds5

About 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid

4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (PubChem CID 167834356) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
PubChem CID167834356
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCOc1nc(CN2CCC(C(=O)O)(C(F)F)CC2)ccc1C
InChIInChI=1S/C15H20F2N2O3/c1-10-3-4-11(18-12(10)22-2)9-19-7-5-15(6-8-19,13(16)17)14(20)21/h3-4,13H,5-9H2,1-2H3,(H,20,21)
InChIKeyWGDIUBNCJJZXKP-UHFFFAOYSA-N
XLogP2.33
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (CID 167834356) is 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is COc1nc(CN2CCC(C(=O)O)(C(F)F)CC2)ccc1C.
What is the InChIKey of 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is WGDIUBNCJJZXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-10-3-4-11(18-12(10)22-2)9-19-7-5-15(6-8-19,13(16)17)14(20)21/h3-4,13H,5-9H2,1-2H3,(H,20,21).
What are the key properties of 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 314.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-[(6-methoxy-5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 167834356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).