tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate

C12H24N2O2 — CID 70650847

IUPACtert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate
SMILESCC1(CNC(=O)OC(C)(C)C)CCNCC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-12(4)5-7-13-8-6-12/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyVKIYCSNDWNMPKU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate (PubChem CID 70650847) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate
PubChem CID70650847
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate
SMILESCC1(CNC(=O)OC(C)(C)C)CCNCC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-12(4)5-7-13-8-6-12/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyVKIYCSNDWNMPKU-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(4-methylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate (CID 70650847) is tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate is CC1(CNC(=O)OC(C)(C)C)CCNCC1.
What is the InChIKey of tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate?
The InChIKey is VKIYCSNDWNMPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-12(4)5-7-13-8-6-12/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 70650847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).