(1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine

C15H31N3O3 — CID 142227573

IUPAC(1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine
SMILESC.C1COCCN1.CC=NC(=O)OC1CCN(CC)CC1
InChIInChI=1S/C10H18N2O2.C4H9NO.CH4/c1-3-11-10(13)14-9-5-7-12(4-2)8-6-9;1-3-6-4-2-5-1;/h3,9H,4-8H2,1-2H3;5H,1-4H2;1H4
InChIKeyGBHDDKCDNMDJSE-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.94
Rot. Bonds2

About (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine

(1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine (PubChem CID 142227573) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine
PubChem CID142227573
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name(1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine
SMILESC.C1COCCN1.CC=NC(=O)OC1CCN(CC)CC1
InChIInChI=1S/C10H18N2O2.C4H9NO.CH4/c1-3-11-10(13)14-9-5-7-12(4-2)8-6-9;1-3-6-4-2-5-1;/h3,9H,4-8H2,1-2H3;5H,1-4H2;1H4
InChIKeyGBHDDKCDNMDJSE-UHFFFAOYSA-N
XLogP1.94
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine?
The IUPAC name of (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine (CID 142227573) is (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine.
What is the SMILES notation for (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine?
The canonical SMILES for (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine is C.C1COCCN1.CC=NC(=O)OC1CCN(CC)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine?
The InChIKey is GBHDDKCDNMDJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C4H9NO.CH4/c1-3-11-10(13)14-9-5-7-12(4-2)8-6-9;1-3-6-4-2-5-1;/h3,9H,4-8H2,1-2H3;5H,1-4H2;1H4.
What are the key properties of (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine?
(1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine has a molecular weight of 301.43 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl) N-ethylidenecarbamate;methane;morpholine is sourced from PubChem (CID 142227573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).