(1-methylpiperidin-4-yl) 2,2-difluoropropanoate

C9H15F2NO2 — CID 58571494

IUPAC(1-methylpiperidin-4-yl) 2,2-difluoropropanoate
SMILESCN1CCC(OC(=O)C(C)(F)F)CC1
InChIInChI=1S/C9H15F2NO2/c1-9(10,11)8(13)14-7-3-5-12(2)6-4-7/h7H,3-6H2,1-2H3
InChIKeyOHIYQGFEIVQATA-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.28
Rot. Bonds2

About (1-methylpiperidin-4-yl) 2,2-difluoropropanoate

(1-methylpiperidin-4-yl) 2,2-difluoropropanoate (PubChem CID 58571494) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2,2-difluoropropanoate
PubChem CID58571494
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name(1-methylpiperidin-4-yl) 2,2-difluoropropanoate
SMILESCN1CCC(OC(=O)C(C)(F)F)CC1
InChIInChI=1S/C9H15F2NO2/c1-9(10,11)8(13)14-7-3-5-12(2)6-4-7/h7H,3-6H2,1-2H3
InChIKeyOHIYQGFEIVQATA-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2,2-difluoropropanoate?
The IUPAC name of (1-methylpiperidin-4-yl) 2,2-difluoropropanoate (CID 58571494) is (1-methylpiperidin-4-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2,2-difluoropropanoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2,2-difluoropropanoate is CN1CCC(OC(=O)C(C)(F)F)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2,2-difluoropropanoate?
The InChIKey is OHIYQGFEIVQATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-9(10,11)8(13)14-7-3-5-12(2)6-4-7/h7H,3-6H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 2,2-difluoropropanoate?
(1-methylpiperidin-4-yl) 2,2-difluoropropanoate has a molecular weight of 207.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 58571494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).