1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate

C15H26FNO4 — CID 177236523

IUPAC1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CC(C(C)(C)F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26FNO4/c1-14(2,3)21-13(19)17-8-10(12(18)20-6)7-11(9-17)15(4,5)16/h10-11H,7-9H2,1-6H3
InChIKeyRUOAWDUDFHNTGP-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.78
Rot. Bonds2

About 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate (PubChem CID 177236523) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate
PubChem CID177236523
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CC(C(C)(C)F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26FNO4/c1-14(2,3)21-13(19)17-8-10(12(18)20-6)7-11(9-17)15(4,5)16/h10-11H,7-9H2,1-6H3
InChIKeyRUOAWDUDFHNTGP-UHFFFAOYSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate (CID 177236523) is 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate is COC(=O)C1CC(C(C)(C)F)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate?
The InChIKey is RUOAWDUDFHNTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO4/c1-14(2,3)21-13(19)17-8-10(12(18)20-6)7-11(9-17)15(4,5)16/h10-11H,7-9H2,1-6H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate has a molecular weight of 303.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 5-(2-fluoropropan-2-yl)piperidine-1,3-dicarboxylate is sourced from PubChem (CID 177236523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).