tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate

C18H30N2O2S — CID 103723994

IUPACtert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NCc1ccsc1
InChIInChI=1S/C18H30N2O2S/c1-14(19-12-15-8-10-23-13-15)11-16-7-5-6-9-20(16)17(21)22-18(2,3)4/h8,10,13-14,16,19H,5-7,9,11-12H2,1-4H3
InChIKeyIMEKOKQNBMAFEZ-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.41
Rot. Bonds5

About tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate

tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate (PubChem CID 103723994) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate
PubChem CID103723994
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Nametert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NCc1ccsc1
InChIInChI=1S/C18H30N2O2S/c1-14(19-12-15-8-10-23-13-15)11-16-7-5-6-9-20(16)17(21)22-18(2,3)4/h8,10,13-14,16,19H,5-7,9,11-12H2,1-4H3
InChIKeyIMEKOKQNBMAFEZ-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(2-thiophen-2-ylethylamino)propyl]azepane-1-carboxylate
CID 113248837
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
CID 113248702
tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate
CID 114180017
tert-butyl 2-[2-(pyridazin-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
CID 106895074
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794
tert-butyl 2-[2-(pent-4-ynylamino)propyl]azepane-1-carboxylate
CID 106220705
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate
CID 104861282
tert-butyl 2-[2-(2-cyanoethylamino)propyl]piperidine-1-carboxylate
CID 79537473

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate (CID 103723994) is tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate is CC(CC1CCCCN1C(=O)OC(C)(C)C)NCc1ccsc1.
What is the InChIKey of tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate?
The InChIKey is IMEKOKQNBMAFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-14(19-12-15-8-10-23-13-15)11-16-7-5-6-9-20(16)17(21)22-18(2,3)4/h8,10,13-14,16,19H,5-7,9,11-12H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate has a molecular weight of 338.52 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 103723994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).