ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate

C12H25N3O2 — CID 134123349

IUPACethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate
SMILESCCOC(=O)NNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H25N3O2/c1-6-17-10(16)14-13-9-7-11(2,3)15-12(4,5)8-9/h9,13,15H,6-8H2,1-5H3,(H,14,16)
InChIKeyOBPLTPZUTUOOQP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.55
Rot. Bonds3

About ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate

ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate (PubChem CID 134123349) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate
PubChem CID134123349
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nameethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate
SMILESCCOC(=O)NNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H25N3O2/c1-6-17-10(16)14-13-9-7-11(2,3)15-12(4,5)8-9/h9,13,15H,6-8H2,1-5H3,(H,14,16)
InChIKeyOBPLTPZUTUOOQP-UHFFFAOYSA-N
XLogP1.55
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate?
The IUPAC name of ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate (CID 134123349) is ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate.
What is the SMILES notation for ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate?
The canonical SMILES for ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate is CCOC(=O)NNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate?
The InChIKey is OBPLTPZUTUOOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-17-10(16)14-13-9-7-11(2,3)15-12(4,5)8-9/h9,13,15H,6-8H2,1-5H3,(H,14,16).
What are the key properties of ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate?
ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate has a molecular weight of 243.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate is sourced from PubChem (CID 134123349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).