3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid

C10H13F2N3O3 — CID 129277952

IUPAC3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid
SMILESCn1cc(OC2CCN(C(=O)O)CC2(F)F)cn1
InChIInChI=1S/C10H13F2N3O3/c1-14-5-7(4-13-14)18-8-2-3-15(9(16)17)6-10(8,11)12/h4-5,8H,2-3,6H2,1H3,(H,16,17)
InChIKeyUHSVRLLPBUMXCT-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.19
Rot. Bonds2

About 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid

3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid (PubChem CID 129277952) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid
PubChem CID129277952
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC Name3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid
SMILESCn1cc(OC2CCN(C(=O)O)CC2(F)F)cn1
InChIInChI=1S/C10H13F2N3O3/c1-14-5-7(4-13-14)18-8-2-3-15(9(16)17)6-10(8,11)12/h4-5,8H,2-3,6H2,1H3,(H,16,17)
InChIKeyUHSVRLLPBUMXCT-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid (CID 129277952) is 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid is Cn1cc(OC2CCN(C(=O)O)CC2(F)F)cn1.
What is the InChIKey of 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is UHSVRLLPBUMXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c1-14-5-7(4-13-14)18-8-2-3-15(9(16)17)6-10(8,11)12/h4-5,8H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid?
3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 261.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 129277952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).