4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine

C11H20N4O — CID 53443686

IUPAC4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine
SMILES[C-]#[N+]CCN1CCN(N2CCOCC2)CC1
InChIInChI=1S/C11H20N4O/c1-12-2-3-13-4-6-14(7-5-13)15-8-10-16-11-9-15/h2-11H2
InChIKeyCHBTVBZIAADCGD-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.23
Rot. Bonds3

About 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine

4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine (PubChem CID 53443686) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine
PubChem CID53443686
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine
SMILES[C-]#[N+]CCN1CCN(N2CCOCC2)CC1
InChIInChI=1S/C11H20N4O/c1-12-2-3-13-4-6-14(7-5-13)15-8-10-16-11-9-15/h2-11H2
InChIKeyCHBTVBZIAADCGD-UHFFFAOYSA-N
XLogP-0.23
TPSA23.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine
CID 87821713
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
4-(2-isocyanosulfanylethyl)morpholine
CID 151698535
1-[2-(aziridin-1-yl)ethyl]aziridine
CID 3009817
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
1-(1,3-benzodioxol-5-yl)-4-(2-isocyanoethyl)piperazine
CID 3530598
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
4-(2-nitroethyl)morpholine
CID 66731033
4-propylmorpholine;hydrobromide
CID 70540609
ethane;4-propylmorpholine
CID 143004992
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine?
The IUPAC name of 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine (CID 53443686) is 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine.
What is the SMILES notation for 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine?
The canonical SMILES for 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine is [C-]#[N+]CCN1CCN(N2CCOCC2)CC1.
What is the InChIKey of 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine?
The InChIKey is CHBTVBZIAADCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-2-3-13-4-6-14(7-5-13)15-8-10-16-11-9-15/h2-11H2.
What are the key properties of 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine?
4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine has a molecular weight of 224.31 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-isocyanoethyl)piperazin-1-yl]morpholine is sourced from PubChem (CID 53443686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).