tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate

C18H26FNO4S — CID 18374764

IUPACtert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FNO4S/c1-18(2,3)24-17(21)20-11-8-14(9-12-20)10-13-25(22,23)16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyNHZBNHGAXLVEFP-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate (PubChem CID 18374764) has the molecular formula C18H26FNO4S and a molecular weight of 371.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
PubChem CID18374764
Molecular FormulaC18H26FNO4S
Molecular Weight371.47 g/mol
Exact Mass371.16
IUPAC Nametert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FNO4S/c1-18(2,3)24-17(21)20-11-8-14(9-12-20)10-13-25(22,23)16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyNHZBNHGAXLVEFP-UHFFFAOYSA-N
XLogP3.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-[4-[2-[2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylsulfonyl]phenyl]ethylsulfanyl]ethyl]phenyl]sulfonylethyl]piperidine-1-carboxylate
CID 141091777
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698
tert-butyl (3R)-3-[(4-fluorophenyl)sulfonylmethyl]piperidine-1-carboxylate
CID 159445241
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]piperidine-1-carboxylate
CID 139510208
tert-butyl 4-[(4-fluorophenyl)sulfonyloxymethylamino]piperidine-1-carboxylate
CID 174847393
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
tert-butyl 4-[(2R)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926593
tert-butyl 4-[(2S)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926592
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 76625784
tert-butyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate
CID 55984259

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate (CID 18374764) is tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate?
The InChIKey is NHZBNHGAXLVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO4S/c1-18(2,3)24-17(21)20-11-8-14(9-12-20)10-13-25(22,23)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-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate has a molecular weight of 371.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 18374764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).