tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate

C15H30N2O2 — CID 104956396

IUPACtert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
SMILESCC(C)CNC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)11-16-15(6)7-9-17(10-8-15)13(18)19-14(3,4)5/h12,16H,7-11H2,1-6H3
InChIKeyTVVYRYDYOHADLT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate

tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate (PubChem CID 104956396) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
PubChem CID104956396
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
SMILESCC(C)CNC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)11-16-15(6)7-9-17(10-8-15)13(18)19-14(3,4)5/h12,16H,7-11H2,1-6H3
InChIKeyTVVYRYDYOHADLT-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl 4-(heptylamino)-4-methylpiperidine-1-carboxylate
CID 107254416
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate
CID 104956449
tert-butyl 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107442987
tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
CID 107254396
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 104956422
tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
CID 83206494
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate (CID 104956396) is tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate is CC(C)CNC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate?
The InChIKey is TVVYRYDYOHADLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)11-16-15(6)7-9-17(10-8-15)13(18)19-14(3,4)5/h12,16H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate is sourced from PubChem (CID 104956396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).