tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate

C13H26N2O2 — CID 131142821

IUPACtert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
SMILESCNCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-8-6-13(4,7-9-15)10-14-5/h14H,6-10H2,1-5H3
InChIKeyYCWQDNWLFNJNDZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate

tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate (PubChem CID 131142821) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
PubChem CID131142821
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
SMILESCNCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-8-6-13(4,7-9-15)10-14-5/h14H,6-10H2,1-5H3
InChIKeyYCWQDNWLFNJNDZ-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 110029275
tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254572
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611
tert-butyl 4-methyl-4-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 104537832
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 4-[(cyclopent-3-ene-1-carbonylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 86788331
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254596
tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104537826

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate (CID 131142821) is tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate is CNCC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate?
The InChIKey is YCWQDNWLFNJNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-8-6-13(4,7-9-15)10-14-5/h14H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 2 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-(methylaminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 131142821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).