tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate

C16H31N3O2 — CID 107243510

IUPACtert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCNCC2CCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-9-18(10-12-19)8-7-17-13-14-5-4-6-14/h14,17H,4-13H2,1-3H3
InChIKeyMGDDAJMXZVQNDD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.93
Rot. Bonds5

About tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate (PubChem CID 107243510) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
PubChem CID107243510
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCNCC2CCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-9-18(10-12-19)8-7-17-13-14-5-4-6-14/h14,17H,4-13H2,1-3H3
InChIKeyMGDDAJMXZVQNDD-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
CID 107243537
tert-butyl 4-[2-(butylamino)ethyl]piperazine-1-carboxylate
CID 107243538
tert-butyl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate
CID 103916751
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
CID 107243480
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696
tert-butyl 4-[3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propyl]piperazine-1-carboxylate;hydroiodide
CID 111070901
tert-butyl 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]piperazine-1-carboxylate
CID 55737815
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate (CID 107243510) is tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCNCC2CCC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is MGDDAJMXZVQNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-9-18(10-12-19)8-7-17-13-14-5-4-6-14/h14,17H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 107243510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).