tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate

C15H24N2O2S — CID 71633459

IUPACtert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
SMILESCC(c1cccs1)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2S/c1-12(13-6-5-11-20-13)16-7-9-17(10-8-16)14(18)19-15(2,3)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyQBYLJMBRNOJUNI-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.36
Rot. Bonds2

About tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate

tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate (PubChem CID 71633459) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
PubChem CID71633459
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
SMILESCC(c1cccs1)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2S/c1-12(13-6-5-11-20-13)16-7-9-17(10-8-16)14(18)19-15(2,3)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyQBYLJMBRNOJUNI-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
CID 104933493
tert-butyl (2S)-2-methyl-4-[(1S)-1-thiophen-2-ylethyl]piperazine-1-carboxylate
CID 97175637
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
tert-butyl 4-[1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 169409829
tert-butyl 4-[(1R)-1-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
CID 97175641
(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-thiophen-2-ylacetate
CID 7146175
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
CID 63302805
tert-butyl 4-[N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111028205
tert-butyl 2-[(2S)-2-thiophen-2-ylpropanoyl]pyrazolidine-1-carboxylate
CID 97329133
tert-butyl 2-[(2R)-2-thiophen-2-ylpropanoyl]pyrazolidine-1-carboxylate
CID 97329132
tert-butyl 4-[1-(4-chlorophenyl)ethyl]piperazine-1-carboxylate;formonitrile
CID 142156796

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate (CID 71633459) is tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate is CC(c1cccs1)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate?
The InChIKey is QBYLJMBRNOJUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(13-6-5-11-20-13)16-7-9-17(10-8-16)14(18)19-15(2,3)4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate?
tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 71633459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).