tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate

C16H27N3O2S — CID 104933493

IUPACtert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
SMILESCC(N)C(c1cccs1)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27N3O2S/c1-12(17)14(13-6-5-11-22-13)18-7-9-19(10-8-18)15(20)21-16(2,3)4/h5-6,11-12,14H,7-10,17H2,1-4H3
InChIKeyGPAMDKDLZGPQFP-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.69
Rot. Bonds3

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

tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate (PubChem CID 104933493) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
PubChem CID104933493
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
SMILESCC(N)C(c1cccs1)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27N3O2S/c1-12(17)14(13-6-5-11-22-13)18-7-9-19(10-8-18)15(20)21-16(2,3)4/h5-6,11-12,14H,7-10,17H2,1-4H3
InChIKeyGPAMDKDLZGPQFP-UHFFFAOYSA-N
XLogP2.69
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone
CID 55022240
tert-butyl 4-[2-amino-1-(3-methylthiophen-2-yl)propyl]piperazine-1-carboxylate
CID 104933492
tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)propyl]piperazine-1-carboxylate
CID 104933457
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-thiophen-2-ylacetate
CID 7146175
tert-butyl 4-[N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111028205
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337
tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
CID 63302805
tert-butyl 2-thiophen-2-ylpropanoate
CID 66337067
tert-butyl 4-[N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111820088

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate (CID 104933493) is tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate is CC(N)C(c1cccs1)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate?
The InChIKey is GPAMDKDLZGPQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12(17)14(13-6-5-11-22-13)18-7-9-19(10-8-18)15(20)21-16(2,3)4/h5-6,11-12,14H,7-10,17H2,1-4H3.
What are the key properties of tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate?
tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate has a molecular weight of 325.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 104933493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).