tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate

C13H26N2O2 — CID 84801666

IUPACtert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
SMILESCC1(C)CC(CNC(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)14-9-10-6-7-15-13(4,5)8-10/h10,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyNDWSHHSDAUBCSI-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate (PubChem CID 84801666) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
PubChem CID84801666
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
SMILESCC1(C)CC(CNC(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)14-9-10-6-7-15-13(4,5)8-10/h10,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyNDWSHHSDAUBCSI-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

Analyze tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
CID 105484052
tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate
CID 139022576
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate
CID 167930532
1-amino-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 115050658
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
CID 117274696

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate (CID 84801666) is tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate is CC1(C)CC(CNC(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate?
The InChIKey is NDWSHHSDAUBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)14-9-10-6-7-15-13(4,5)8-10/h10,15H,6-9H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(2,2-dimethylpiperidin-4-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-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 84801666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).