tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate

C13H27N3O2 — CID 71276149

IUPACtert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)C1CCN(N)CC1
InChIInChI=1S/C13H27N3O2/c1-5-8-16(12(17)18-13(2,3)4)11-6-9-15(14)10-7-11/h11H,5-10,14H2,1-4H3
InChIKeyVKHVAHINCDAGOP-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.97
Rot. Bonds3

About tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate

tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate (PubChem CID 71276149) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
PubChem CID71276149
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)C1CCN(N)CC1
InChIInChI=1S/C13H27N3O2/c1-5-8-16(12(17)18-13(2,3)4)11-6-9-15(14)10-7-11/h11H,5-10,14H2,1-4H3
InChIKeyVKHVAHINCDAGOP-UHFFFAOYSA-N
XLogP1.97
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 124907567
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl 2-(1-aminopiperidin-4-yl)pentanoate
CID 174484144
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-cyclopropylcarbamate
CID 111097601
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-cyclopropylcarbamate;hydroiodide
CID 111097600
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
CID 67045293

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate (CID 71276149) is tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)C1CCN(N)CC1.
What is the InChIKey of tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate?
The InChIKey is VKHVAHINCDAGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-8-16(12(17)18-13(2,3)4)11-6-9-15(14)10-7-11/h11H,5-10,14H2,1-4H3.
What are the key properties of tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate?
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate has a molecular weight of 257.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate is sourced from PubChem (CID 71276149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).