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

C12H24N2O2 — CID 50988935

IUPACtert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C)CCNCC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14(5)12(4)6-8-13-9-7-12/h13H,6-9H2,1-5H3
InChIKeyGPCLQDJDTKRXAQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds1

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

tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate (PubChem CID 50988935) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
PubChem CID50988935
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C)CCNCC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14(5)12(4)6-8-13-9-7-12/h13H,6-9H2,1-5H3
InChIKeyGPCLQDJDTKRXAQ-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate (CID 50988935) is tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate is CN(C(=O)OC(C)(C)C)C1(C)CCNCC1.
What is the InChIKey of tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate?
The InChIKey is GPCLQDJDTKRXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14(5)12(4)6-8-13-9-7-12/h13H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate?
tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 1 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-(4-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 50988935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).