tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate

C13H26N2O2 — CID 130690433

IUPACtert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1NCCCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-10-13(4,5)7-6-8-14-10/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyIGLGVDQPXFGFLT-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate

tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate (PubChem CID 130690433) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
PubChem CID130690433
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1NCCCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-10-13(4,5)7-6-8-14-10/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyIGLGVDQPXFGFLT-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
CID 114083921
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
CID 105484052
tert-butyl N-[[(2R,3S)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 154442495
tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate;methyl formate
CID 142104824
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
CID 84801666
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 120670977
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide;hydrochloride
CID 120670962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate (CID 130690433) is tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1NCCCC1(C)C.
What is the InChIKey of tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate?
The InChIKey is IGLGVDQPXFGFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-9-10-13(4,5)7-6-8-14-10/h10,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate?
tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate is sourced from PubChem (CID 130690433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).