ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate

C15H26FNO4 — CID 171743059

IUPACditert-butyl 4-fluoropiperidine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26FNO4/c1-13(2,3)20-11(18)15(16)7-9-17(10-8-15)12(19)21-14(4,5)6/h7-10H2,1-6H3
InChIKeyWXFIPNCCUPLFEW-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds1

About ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate

ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate (PubChem CID 171743059) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 4-fluoropiperidine-1,4-dicarboxylate
PubChem CID171743059
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Nameditert-butyl 4-fluoropiperidine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26FNO4/c1-13(2,3)20-11(18)15(16)7-9-17(10-8-15)12(19)21-14(4,5)6/h7-10H2,1-6H3
InChIKeyWXFIPNCCUPLFEW-UHFFFAOYSA-N
XLogP3.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid
CID 1502006
N-Boc-3-methyl-4-piperidinecarboxylic acid
CID 4248616
1-tert-Butyl 4-ethyl 4-methylpiperidine-1,4-dicarboxylate
CID 16218276
1-((Tert-butoxy)carbonyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 17983139
1-(tert-Butoxycarbonyl)-4-fluoropiperidine-4-carboxylic Acid
CID 21050397
1-[(Tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 22169097
trans-1-Boc-3-methylpiperidine-4-carboxylic acid
CID 40478946

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate (CID 171743059) is ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate is CC(C)(C)OC(=O)N1CCC(F)(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate?
The InChIKey is WXFIPNCCUPLFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO4/c1-13(2,3)20-11(18)15(16)7-9-17(10-8-15)12(19)21-14(4,5)6/h7-10H2,1-6H3.
What are the key properties of ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate?
ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate has a molecular weight of 303.37 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 4-fluoropiperidine-1,4-dicarboxylate is sourced from PubChem (CID 171743059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).