tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate

C13H24FNO2 — CID 171743064

IUPACtert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate
SMILESCC(C)N1CCC(F)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24FNO2/c1-10(2)15-8-6-13(14,7-9-15)11(16)17-12(3,4)5/h10H,6-9H2,1-5H3
InChIKeyABIDTZUDVPLYDK-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate

tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate (PubChem CID 171743064) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate
PubChem CID171743064
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Nametert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate
SMILESCC(C)N1CCC(F)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24FNO2/c1-10(2)15-8-6-13(14,7-9-15)11(16)17-12(3,4)5/h10H,6-9H2,1-5H3
InChIKeyABIDTZUDVPLYDK-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
Tert-butyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate
CID 126454918
Ethyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate
CID 58547083
4-Fluoro-1-(tetrahydro-pyran-4-yl)-piperidine-4-carboxylic acid ethyl ester
CID 59508129
1-Cyclobutyl-4-fluoro-piperidine-4-carboxylic acid ethyl ester
CID 59508137
4-[(Tert-butoxy)carbonyl]-4-fluoropiperidine-1-carboxylic acid
CID 69812411
Ethyl 4-fluoro-1-methylpiperidine-4-carboxylate
CID 70641647
Ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate
CID 79317038
Methyl 1-(2-fluoroethyl)-4-piperidinecarboxylate
CID 80602776
Ethyl 1-(2,2-dimethylpropyl)-4-fluoropiperidine-4-carboxylate
CID 117934860
Ethyl 1-ethyl-4-fluoropiperidine-4-carboxylate
CID 117937393
Ethyl 1-(1,1,1-trifluoropropan-2-yl)piperidine-4-carboxylate
CID 121379718

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate (CID 171743064) is tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate is CC(C)N1CCC(F)(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is ABIDTZUDVPLYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-10(2)15-8-6-13(14,7-9-15)11(16)17-12(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate?
tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 245.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 171743064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).