tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate

C13H26N2O3 — CID 176578445

IUPACtert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
SMILESCN(CCOC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15(4)9-10-17-11-5-7-14-8-6-11/h11,14H,5-10H2,1-4H3
InChIKeyZKNJFRXYLFQHAJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.62
Rot. Bonds4

About tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate

tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate (PubChem CID 176578445) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
PubChem CID176578445
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
SMILESCN(CCOC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15(4)9-10-17-11-5-7-14-8-6-11/h11,14H,5-10H2,1-4H3
InChIKeyZKNJFRXYLFQHAJ-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)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-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065
tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate
CID 23395979
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-[3-[3-(hydroxymethyl)cyclobutyl]oxypropyl]-N-methylcarbamate
CID 167375585
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate
CID 68876436
tert-butyl piperidin-4-yl carbonate
CID 22078382

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate (CID 176578445) is tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate is CN(CCOC1CCNCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate?
The InChIKey is ZKNJFRXYLFQHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15(4)9-10-17-11-5-7-14-8-6-11/h11,14H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate?
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate is sourced from PubChem (CID 176578445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).