ethyl N-methyl-N-piperidin-4-ylcarbamate

C9H18N2O2 — CID 19761240

IUPACethyl N-methyl-N-piperidin-4-ylcarbamate
SMILESCCOC(=O)N(C)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)11(2)8-4-6-10-7-5-8/h8,10H,3-7H2,1-2H3
InChIKeyQIAQJLFLGMPNAB-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds2

About ethyl N-methyl-N-piperidin-4-ylcarbamate

ethyl N-methyl-N-piperidin-4-ylcarbamate (PubChem CID 19761240) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl N-methyl-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-piperidin-4-ylcarbamate
PubChem CID19761240
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl N-methyl-N-piperidin-4-ylcarbamate
SMILESCCOC(=O)N(C)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)11(2)8-4-6-10-7-5-8/h8,10H,3-7H2,1-2H3
InChIKeyQIAQJLFLGMPNAB-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-piperidin-4-ylcarbamate?
The IUPAC name of ethyl N-methyl-N-piperidin-4-ylcarbamate (CID 19761240) is ethyl N-methyl-N-piperidin-4-ylcarbamate.
What is the SMILES notation for ethyl N-methyl-N-piperidin-4-ylcarbamate?
The canonical SMILES for ethyl N-methyl-N-piperidin-4-ylcarbamate is CCOC(=O)N(C)C1CCNCC1.
What is the InChIKey of ethyl N-methyl-N-piperidin-4-ylcarbamate?
The InChIKey is QIAQJLFLGMPNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)11(2)8-4-6-10-7-5-8/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl N-methyl-N-piperidin-4-ylcarbamate?
ethyl N-methyl-N-piperidin-4-ylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 19761240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).