2-piperidin-3-ylethyl N,N-diethylcarbamate

C12H24N2O2 — CID 79337440

IUPAC2-piperidin-3-ylethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCCC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-3-14(4-2)12(15)16-9-7-11-6-5-8-13-10-11/h11,13H,3-10H2,1-2H3
InChIKeyAJWDRQLJSBKXNE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds5

About 2-piperidin-3-ylethyl N,N-diethylcarbamate

2-piperidin-3-ylethyl N,N-diethylcarbamate (PubChem CID 79337440) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-piperidin-3-ylethyl N,N-diethylcarbamate.

Molecular Properties

Compound Name2-piperidin-3-ylethyl N,N-diethylcarbamate
PubChem CID79337440
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-piperidin-3-ylethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCCC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-3-14(4-2)12(15)16-9-7-11-6-5-8-13-10-11/h11,13H,3-10H2,1-2H3
InChIKeyAJWDRQLJSBKXNE-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylethyl N,N-diethylcarbamate?
The IUPAC name of 2-piperidin-3-ylethyl N,N-diethylcarbamate (CID 79337440) is 2-piperidin-3-ylethyl N,N-diethylcarbamate.
What is the SMILES notation for 2-piperidin-3-ylethyl N,N-diethylcarbamate?
The canonical SMILES for 2-piperidin-3-ylethyl N,N-diethylcarbamate is CCN(CC)C(=O)OCCC1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylethyl N,N-diethylcarbamate?
The InChIKey is AJWDRQLJSBKXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14(4-2)12(15)16-9-7-11-6-5-8-13-10-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-piperidin-3-ylethyl N,N-diethylcarbamate?
2-piperidin-3-ylethyl N,N-diethylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylethyl N,N-diethylcarbamate is sourced from PubChem (CID 79337440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).