1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate

C9H13F2NO4 — CID 146161419

IUPAC1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1CCN(C(=O)OC(F)F)CC1
InChIInChI=1S/C9H13F2NO4/c1-15-7(13)6-2-4-12(5-3-6)9(14)16-8(10)11/h6,8H,2-5H2,1H3
InChIKeyHGPJVWGWZDXUAN-UHFFFAOYSA-N
MW237.20 g/mol
LogP1.23
Rot. Bonds2

About 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate

1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate (PubChem CID 146161419) has the molecular formula C9H13F2NO4 and a molecular weight of 237.20 g/mol. Its IUPAC name is 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate
PubChem CID146161419
Molecular FormulaC9H13F2NO4
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate
SMILESCOC(=O)C1CCN(C(=O)OC(F)F)CC1
InChIInChI=1S/C9H13F2NO4/c1-15-7(13)6-2-4-12(5-3-6)9(14)16-8(10)11/h6,8H,2-5H2,1H3
InChIKeyHGPJVWGWZDXUAN-UHFFFAOYSA-N
XLogP1.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate (CID 146161419) is 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate is COC(=O)C1CCN(C(=O)OC(F)F)CC1.
What is the InChIKey of 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate?
The InChIKey is HGPJVWGWZDXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO4/c1-15-7(13)6-2-4-12(5-3-6)9(14)16-8(10)11/h6,8H,2-5H2,1H3.
What are the key properties of 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate?
1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate has a molecular weight of 237.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 146161419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).