tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate

C18H26FNO3 — CID 58808104

IUPACtert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-11-8-14(9-12-20)10-13-22-16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyMRTJPGWXVQSUOU-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 58808104) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
PubChem CID58808104
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nametert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-11-8-14(9-12-20)10-13-22-16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyMRTJPGWXVQSUOU-UHFFFAOYSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
tert-butyl 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylate
CID 123845758
tert-butyl 4-[2-(3,4-dinitrophenoxy)ethyl]piperidine-1-carboxylate
CID 86612986
tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
CID 18374764
tert-butyl 4-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]piperidine-1-carboxylate
CID 139510208
2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid
CID 67644896
tert-butyl 3-[[4-(2-fluoroethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 155373878
tert-butyl 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine-1-carboxylate
CID 59234126
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 76625784
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate (CID 58808104) is tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is MRTJPGWXVQSUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-18(2,3)23-17(21)20-11-8-14(9-12-20)10-13-22-16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 323.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58808104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).