tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate

C17H34N2O3 — CID 107254572

IUPACtert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(CO)CNCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O3/c1-15(2,3)22-14(21)19-9-7-17(6,8-10-19)12-18-11-16(4,5)13-20/h18,20H,7-13H2,1-6H3
InChIKeyWDWYENKCYDGREB-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate (PubChem CID 107254572) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
PubChem CID107254572
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(CO)CNCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O3/c1-15(2,3)22-14(21)19-9-7-17(6,8-10-19)12-18-11-16(4,5)13-20/h18,20H,7-13H2,1-6H3
InChIKeyWDWYENKCYDGREB-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107442987
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 4-methyl-4-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 104537832
tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 110029275
tert-butyl 4-formyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 130743558
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate (CID 107254572) is tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate is CC(C)(CO)CNCC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is WDWYENKCYDGREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-15(2,3)22-14(21)19-9-7-17(6,8-10-19)12-18-11-16(4,5)13-20/h18,20H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107254572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).