tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate

C12H24N2O2 — CID 23004743

IUPACtert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
SMILESCN(CC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)9-10-5-7-13-8-6-10/h10,13H,5-9H2,1-4H3
InChIKeyZREUHPKGCXOWCK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds2

About tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate

tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate (PubChem CID 23004743) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
PubChem CID23004743
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
SMILESCN(CC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)9-10-5-7-13-8-6-10/h10,13H,5-9H2,1-4H3
InChIKeyZREUHPKGCXOWCK-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-(piperidin-4-ylmethyl)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 tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate (CID 23004743) is tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate is CN(CC1CCNCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate?
The InChIKey is ZREUHPKGCXOWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)9-10-5-7-13-8-6-10/h10,13H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate?
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate is sourced from PubChem (CID 23004743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).