tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate

C17H32N2O2 — CID 104860280

IUPACtert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
SMILESCC1CC(NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-13-10-14(11-13)18-12-17(5)6-8-19(9-7-17)15(20)21-16(2,3)4/h13-14,18H,6-12H2,1-5H3
InChIKeyYFAVBZQLIJXXSV-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 104860280) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
PubChem CID104860280
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
SMILESCC1CC(NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-13-10-14(11-13)18-12-17(5)6-8-19(9-7-17)15(20)21-16(2,3)4/h13-14,18H,6-12H2,1-5H3
InChIKeyYFAVBZQLIJXXSV-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254596
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
CID 104872140
tert-butyl 4-methyl-4-[[(2-methylthian-3-yl)amino]methyl]piperidine-1-carboxylate
CID 107254571
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate
CID 114284326
tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254572
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-methyl-4-propylpiperidine-1-carboxylate
CID 145107910

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate (CID 104860280) is tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate is CC1CC(NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is YFAVBZQLIJXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-10-14(11-13)18-12-17(5)6-8-19(9-7-17)15(20)21-16(2,3)4/h13-14,18H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.41, 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-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104860280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).