tert-butyl 5-fluoropiperidine-2-carboxylate

C10H18FNO2 — CID 57018078

IUPACtert-butyl 5-fluoropiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(F)CN1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)14-9(13)8-5-4-7(11)6-12-8/h7-8,12H,4-6H2,1-3H3
InChIKeyAGNZLVPFYMJHMR-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.42
Rot. Bonds1

About tert-butyl 5-fluoropiperidine-2-carboxylate

tert-butyl 5-fluoropiperidine-2-carboxylate (PubChem CID 57018078) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is tert-butyl 5-fluoropiperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-fluoropiperidine-2-carboxylate
PubChem CID57018078
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nametert-butyl 5-fluoropiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(F)CN1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)14-9(13)8-5-4-7(11)6-12-8/h7-8,12H,4-6H2,1-3H3
InChIKeyAGNZLVPFYMJHMR-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
CID 73094768
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
CID 22362314
tert-butyl 4-cyanopyrrolidine-2-carboxylate
CID 131739554
tert-butyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylate
CID 66469091

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluoropiperidine-2-carboxylate?
The IUPAC name of tert-butyl 5-fluoropiperidine-2-carboxylate (CID 57018078) is tert-butyl 5-fluoropiperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-fluoropiperidine-2-carboxylate?
The canonical SMILES for tert-butyl 5-fluoropiperidine-2-carboxylate is CC(C)(C)OC(=O)C1CCC(F)CN1.
What is the InChIKey of tert-butyl 5-fluoropiperidine-2-carboxylate?
The InChIKey is AGNZLVPFYMJHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,3)14-9(13)8-5-4-7(11)6-12-8/h7-8,12H,4-6H2,1-3H3.
What are the key properties of tert-butyl 5-fluoropiperidine-2-carboxylate?
tert-butyl 5-fluoropiperidine-2-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluoropiperidine-2-carboxylate is sourced from PubChem (CID 57018078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).