piperidin-1-yl N-tert-butyl-N-methylcarbamate

C11H22N2O2 — CID 175506909

IUPACpiperidin-1-yl N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)ON1CCCCC1)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12(4)10(14)15-13-8-6-5-7-9-13/h5-9H2,1-4H3
InChIKeyLJUWBGSXAALBKD-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.25
Rot. Bonds1

About piperidin-1-yl N-tert-butyl-N-methylcarbamate

piperidin-1-yl N-tert-butyl-N-methylcarbamate (PubChem CID 175506909) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is piperidin-1-yl N-tert-butyl-N-methylcarbamate.

Molecular Properties

Compound Namepiperidin-1-yl N-tert-butyl-N-methylcarbamate
PubChem CID175506909
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepiperidin-1-yl N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)ON1CCCCC1)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-11(2,3)12(4)10(14)15-13-8-6-5-7-9-13/h5-9H2,1-4H3
InChIKeyLJUWBGSXAALBKD-UHFFFAOYSA-N
XLogP2.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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azepan-1-ylazanium;azepan-1-yl carbonate
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CID 89044147

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl N-tert-butyl-N-methylcarbamate?
The IUPAC name of piperidin-1-yl N-tert-butyl-N-methylcarbamate (CID 175506909) is piperidin-1-yl N-tert-butyl-N-methylcarbamate.
What is the SMILES notation for piperidin-1-yl N-tert-butyl-N-methylcarbamate?
The canonical SMILES for piperidin-1-yl N-tert-butyl-N-methylcarbamate is CN(C(=O)ON1CCCCC1)C(C)(C)C.
What is the InChIKey of piperidin-1-yl N-tert-butyl-N-methylcarbamate?
The InChIKey is LJUWBGSXAALBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)12(4)10(14)15-13-8-6-5-7-9-13/h5-9H2,1-4H3.
What are the key properties of piperidin-1-yl N-tert-butyl-N-methylcarbamate?
piperidin-1-yl N-tert-butyl-N-methylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl N-tert-butyl-N-methylcarbamate is sourced from PubChem (CID 175506909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).