piperidin-4-ylmethyl 2,2-difluoropropanoate

C9H15F2NO2 — CID 71232327

IUPACpiperidin-4-ylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1CCNCC1
InChIInChI=1S/C9H15F2NO2/c1-9(10,11)8(13)14-6-7-2-4-12-5-3-7/h7,12H,2-6H2,1H3
InChIKeyWMLSHPQOSJGDJD-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.18
Rot. Bonds3

About piperidin-4-ylmethyl 2,2-difluoropropanoate

piperidin-4-ylmethyl 2,2-difluoropropanoate (PubChem CID 71232327) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is piperidin-4-ylmethyl 2,2-difluoropropanoate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 2,2-difluoropropanoate
PubChem CID71232327
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Namepiperidin-4-ylmethyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC1CCNCC1
InChIInChI=1S/C9H15F2NO2/c1-9(10,11)8(13)14-6-7-2-4-12-5-3-7/h7,12H,2-6H2,1H3
InChIKeyWMLSHPQOSJGDJD-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl 2,2-difluoropropanoate?
The IUPAC name of piperidin-4-ylmethyl 2,2-difluoropropanoate (CID 71232327) is piperidin-4-ylmethyl 2,2-difluoropropanoate.
What is the SMILES notation for piperidin-4-ylmethyl 2,2-difluoropropanoate?
The canonical SMILES for piperidin-4-ylmethyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl 2,2-difluoropropanoate?
The InChIKey is WMLSHPQOSJGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-9(10,11)8(13)14-6-7-2-4-12-5-3-7/h7,12H,2-6H2,1H3.
What are the key properties of piperidin-4-ylmethyl 2,2-difluoropropanoate?
piperidin-4-ylmethyl 2,2-difluoropropanoate has a molecular weight of 207.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl 2,2-difluoropropanoate is sourced from PubChem (CID 71232327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).