tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate

C15H24N2O2S — CID 43652164

IUPACtert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cccs2)CC1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-20-13/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeyOIHLIKLFFIBZNY-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate

tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate (PubChem CID 43652164) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
PubChem CID43652164
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cccs2)CC1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-20-13/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeyOIHLIKLFFIBZNY-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(thiophen-2-ylmethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 95765272
tert-butyl 4-[(2-thiophen-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730080
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 103801907
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
tert-butyl 4-[(3-methylthiophen-2-yl)methylamino]azepane-1-carboxylate
CID 103982485
tert-butyl 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 107241646
tert-butyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-1-carboxylate
CID 55985864
tert-butyl 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 103527151
tert-butyl (3S)-3-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 96549415
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate (CID 43652164) is tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2cccs2)CC1.
What is the InChIKey of tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is OIHLIKLFFIBZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-20-13/h4-5,10,12,16H,6-9,11H2,1-3H3.
What are the key properties of tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43652164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).