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

C9H13F2N3O — CID 129277945

IUPAC3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine
SMILESCn1cc(OC2CCNCC2(F)F)cn1
InChIInChI=1S/C9H13F2N3O/c1-14-5-7(4-13-14)15-8-2-3-12-6-9(8,10)11/h4-5,8,12H,2-3,6H2,1H3
InChIKeyMQXVJHUXVQUUMJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.80
Rot. Bonds2

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

3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine (PubChem CID 129277945) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine
PubChem CID129277945
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine
SMILESCn1cc(OC2CCNCC2(F)F)cn1
InChIInChI=1S/C9H13F2N3O/c1-14-5-7(4-13-14)15-8-2-3-12-6-9(8,10)11/h4-5,8,12H,2-3,6H2,1H3
InChIKeyMQXVJHUXVQUUMJ-UHFFFAOYSA-N
XLogP0.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine?
The IUPAC name of 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine (CID 129277945) is 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine.
What is the SMILES notation for 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine?
The canonical SMILES for 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine is Cn1cc(OC2CCNCC2(F)F)cn1.
What is the InChIKey of 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine?
The InChIKey is MQXVJHUXVQUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-14-5-7(4-13-14)15-8-2-3-12-6-9(8,10)11/h4-5,8,12H,2-3,6H2,1H3.
What are the key properties of 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine?
3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine has a molecular weight of 217.22 g/mol, XLogP of 0.80, 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 is sourced from PubChem (CID 129277945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).