tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate

C12H22FNO2 — CID 174358589

IUPACtert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate
SMILESCCN1CCC(F)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22FNO2/c1-5-14-8-6-12(13,7-9-14)10(15)16-11(2,3)4/h5-9H2,1-4H3
InChIKeyUUNSTFMDDBLKIK-UHFFFAOYSA-N
MW231.31 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate

tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate (PubChem CID 174358589) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate
PubChem CID174358589
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Nametert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate
SMILESCCN1CCC(F)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22FNO2/c1-5-14-8-6-12(13,7-9-14)10(15)16-11(2,3)4/h5-9H2,1-4H3
InChIKeyUUNSTFMDDBLKIK-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Tert-butyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate
CID 126454918
Potassium 1-[(tert-butoxy)carbonyl]-4-fluoropiperidine-4-carboxylate
CID 126811968
N-Methylpethidine
CID 6452722
Ethyl 1-butylpiperidine-4-carboxylate
CID 9990801
Ethyl 1-propyl-piperidine-4-carboxylate
CID 21202791
Methyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 18071331
Ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 19622894
Ethyl N-Boc-4-fluoropiperidine-4-carboxylate
CID 21306965
Ethyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate
CID 58547083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate (CID 174358589) is tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate is CCN1CCC(F)(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate?
The InChIKey is UUNSTFMDDBLKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-5-14-8-6-12(13,7-9-14)10(15)16-11(2,3)4/h5-9H2,1-4H3.
What are the key properties of tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate?
tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate has a molecular weight of 231.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-ethyl-4-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 174358589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).