tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate

C14H21NO2S — CID 53426264

IUPACtert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-7-4-11(5-8-15)12-6-9-18-10-12/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyZHVNQPMGDCKAKA-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.86
Rot. Bonds1

About tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate

tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate (PubChem CID 53426264) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
PubChem CID53426264
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-7-4-11(5-8-15)12-6-9-18-10-12/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyZHVNQPMGDCKAKA-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-[(thiophen-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 78915930
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
3-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 162396091
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-[4-(2-oxopropyl)phenyl]piperidine-1-carboxylate
CID 89449291
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
tert-butyl 4-(4-carbamothioylphenyl)piperidine-1-carboxylate
CID 172570363
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 3-[methyl(thiophene-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 71647088
tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate (CID 53426264) is tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccsc2)CC1.
What is the InChIKey of tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate?
The InChIKey is ZHVNQPMGDCKAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-7-4-11(5-8-15)12-6-9-18-10-12/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate?
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate is sourced from PubChem (CID 53426264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).